G313-0774 Screening compound: N-[(2-chlorophenyl)methyl]-2-{7-methyl-4-oxo-3-[4-(propan-2-yl)benzenesulfonyl]-1,4-dihydro-1,8-naphthyridin-1-yl}acetamide

G313-0774 Screening compound: N-[(2-chlorophenyl)methyl]-2-{7-methyl-4-oxo-3-[4-(propan-2-yl)benzenesulfonyl]-1,4-dihydro-1,8-naphthyridin-1-yl}acetamide
G313-0774 Screening compound: N-[(2-chlorophenyl)methyl]-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 G313-0774
N-[(2-chlorophenyl)methyl]-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

G313-0774

Molecular Formula

C27H26ClN3O4S (C27 H26 ClN3 O4 S)

Compound Name

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

IUPAC name

N-[(2-chlorophenyl)methyl]-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(NCc(cccc2)c2Cl)=O)c2nc(C)ccc2C1=O)(=O)=O

InChI

InChI=1S/C27H26ClN3O4S/c1-17(2)19-9-11-21(12-10-19)36(34,35)24-15-31(27-22(26(24)33)13-8-18(3)30-27)16-25(32)29-14-20-6-4-5-7-23(20)28/h4-13,15,17H,14,16H2,1-3H3,(H,29,32)

InChI Key

PTHBLGVICZQBJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27135315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.04

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.818

Distribution Coefficient, logD

5.818

Water Solubility, LogSw

-5.86

Polar Surface Area

79.240

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G313-0774 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G313-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G313-0774?
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What is the minimum amount of G313-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G313-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G313-0774
  • 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 G313-0774 available by request