C648-0064 Screening compound: ethyl 3-[({1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-3-piperidyl}carbonyl)amino]benzoate

C648-0064 Screening compound: ethyl 3-[({1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-3-piperidyl}carbonyl)amino]benzoate
C648-0064 Screening compound: ethyl 3-[({1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-3-piperidyl}carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C648-0064
ethyl 3-[({1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-3-piperidyl}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

C648-0064

Molecular Formula

C23H25N3O7S (C23 H25 N3 O7 S)

Compound Name

ethyl 3-[({1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-3-piperidyl}carbonyl)amino]benzoate

IUPAC name

ethyl 3-{1-[(3-methyl-2-oxo-23-dihydro-13-benzoxazol-6-yl)sulfonyl]piperidine-3-amido}benzoate

SMILES

CCOC(c1cccc(NC(C(CCC2)CN2S(c(cc2)cc(O3)c2N(C)C3=O)(=O)=O)=O)c1)=O

InChI

InChI=1S/C23H25N3O7S/c1-3-32-22(28)15-6-4-8-17(12-15)24-21(27)16-7-5-11-26(14-16)34(30,31)18-9-10-19-20(13-18)33-23(29)25(19)2/h4,6,8-10,12-13,16H,3,5,7,11,14H2,1-2H3,(H,24,27)/t16-/m0/s1

InChI Key

XHSSYVPDGFXDHJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14779124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.53

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.778

Distribution Coefficient, logD

2.778

Water Solubility, LogSw

-3.59

Polar Surface Area

98.594

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

C648-0064 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C648-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C648-0064?
Check Price and Availability of C648-0064, 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 C648-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C648-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C648-0064
  • 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 C648-0064 available by request