F350-0045 Screening compound: methyl 4-chloro-2-({4H,5H-pyrrolo[1,2-a]quinoxaline-5-carbonyl}amino)benzoate

F350-0045 Screening compound: methyl 4-chloro-2-({4H,5H-pyrrolo[1,2-a]quinoxaline-5-carbonyl}amino)benzoate
F350-0045 Screening compound: methyl 4-chloro-2-({4H,5H-pyrrolo[1,2-a]quinoxaline-5-carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F350-0045
methyl 4-chloro-2-({4H,5H-pyrrolo[1,2-a]quinoxaline-5-carbonyl}amino)benzoate

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

F350-0045

Molecular Formula

C20H16ClN3O3 (C20 H16 ClN3 O3)

Compound Name

methyl 4-chloro-2-({4H,5H-pyrrolo[1,2-a]quinoxaline-5-carbonyl}amino)benzoate

IUPAC name

methyl 4-chloro-2-({4H5H-pyrrolo[12-a]quinoxaline-5-carbonyl}amino)benzoate

SMILES

COC(c(ccc(Cl)c1)c1NC(N(C1)c(cccc2)c2-n2c1ccc2)=O)=O

InChI

InChI=1S/C20H16ClN3O3/c1-27-19(25)15-9-8-13(21)11-16(15)22-20(26)24-12-14-5-4-10-23(14)17-6-2-3-7-18(17)24/h2-11H,12H2,1H3,(H,22,26)

InChI Key

KYIOAMQPUJIYRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14951513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.431

Distribution Coefficient, logD

4.376

Water Solubility, LogSw

-4.58

Polar Surface Area

46.750

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

F350-0045 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F350-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F350-0045?
Check Price and Availability of F350-0045, 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 F350-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F350-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F350-0045
  • 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 F350-0045 available by request