C855-0066 Screening compound: methyl 5-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carboxylate

C855-0066 Screening compound: methyl 5-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carboxylate
C855-0066 Screening compound: methyl 5-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C855-0066
methyl 5-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C855-0066

Molecular Formula

C24H22ClN3O4 (C24 H22 ClN3 O4)

Compound Name

methyl 5-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carboxylate

IUPAC name

methyl 5-{[2-(3-chlorophenyl)-5-methyl-13-oxazol-4-yl]methyl}-4-oxo-1H2H3H3aH4H5H-pyrrolo[12-a]quinoxaline-7-carboxylate

SMILES

Cc1c(CN2c(cc(cc3)C(OC)=O)c3N(CCC3)C3C2=O)nc(-c2cccc(Cl)c2)o1

InChI

InChI=1S/C24H22ClN3O4/c1-14-18(26-22(32-14)15-5-3-6-17(25)11-15)13-28-21-12-16(24(30)31-2)8-9-19(21)27-10-4-7-20(27)23(28)29/h3,5-6,8-9,11-12,20H,4,7,10,13H2,1-2H3/t20-/m1/s1

InChI Key

PHVNNHBJHLPOII-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14800755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.064

Distribution Coefficient, logD

4.064

Water Solubility, LogSw

-4.49

Polar Surface Area

57.454

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

C855-0066 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C855-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C855-0066?
Check Price and Availability of C855-0066, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C855-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C855-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C855-0066
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C855-0066 available by request