G313-0771 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{7-methyl-4-oxo-3-[4-(propan-2-yl)benzenesulfonyl]-1,4-dihydro-1,8-naphthyridin-1-yl}acetamide

G313-0771 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{7-methyl-4-oxo-3-[4-(propan-2-yl)benzenesulfonyl]-1,4-dihydro-1,8-naphthyridin-1-yl}acetamide
G313-0771 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{7-methyl-4-oxo-3-[4-(propan-2-yl)benzenesulfonyl]-1,4-dihydro-1,8-naphthyridin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G313-0771
N-[2-(4-chlorophenyl)ethyl]-2-{7-methyl-4-oxo-3-[4-(propan-2-yl)benzenesulfonyl]-1,4-dihydro-1,8-naphthyridin-1-yl}acetamide

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

G313-0771

Molecular Formula

C28H28ClN3O4S (C28 H28 ClN3 O4 S)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-2-{7-methyl-4-oxo-3-[4-(propan-2-yl)benzenesulfonyl]-1,4-dihydro-1,8-naphthyridin-1-yl}acetamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-2-{7-methyl-4-oxo-3-[4-(propan-2-yl)benzenesulfonyl]-14-dihydro-18-naphthyridin-1-yl}acetamide

SMILES

CC(C)c(cc1)ccc1S(C1=CN(CC(NCCc(cc2)ccc2Cl)=O)c2nc(C)ccc2C1=O)(=O)=O

InChI

InChI=1S/C28H28ClN3O4S/c1-18(2)21-7-11-23(12-8-21)37(35,36)25-16-32(28-24(27(25)34)13-4-19(3)31-28)17-26(33)30-15-14-20-5-9-22(29)10-6-20/h4-13,16,18H,14-15,17H2,1-3H3,(H,30,33)

InChI Key

HAVWANGXCGJZGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27135312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.07

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.405

Distribution Coefficient, logD

5.405

Water Solubility, LogSw

-5.99

Polar Surface Area

79.081

Acid Dissociation Constant (pKa)

14.56

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G313-0771 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G313-0771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G313-0771?
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What is the minimum amount of G313-0771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G313-0771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G313-0771
  • 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 G313-0771 available by request