G634-0531 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(6-bromo-2-oxo-1,2,3,4-tetrahydroquinolin-1-yl)acetamide

G634-0531 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(6-bromo-2-oxo-1,2,3,4-tetrahydroquinolin-1-yl)acetamide
G634-0531 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(6-bromo-2-oxo-1,2,3,4-tetrahydroquinolin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G634-0531
N-(2H-1,3-benzodioxol-5-yl)-2-(6-bromo-2-oxo-1,2,3,4-tetrahydroquinolin-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

G634-0531

Molecular Formula

C18H15BrN2O4 (C18 H15 BrN2 O4)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-(6-bromo-2-oxo-1,2,3,4-tetrahydroquinolin-1-yl)acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-(6-bromo-2-oxo-1234-tetrahydroquinolin-1-yl)acetamide

SMILES

O=C(CN(C(CC1)=O)c(cc2)c1cc2Br)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C18H15BrN2O4/c19-12-2-4-14-11(7-12)1-6-18(23)21(14)9-17(22)20-13-3-5-15-16(8-13)25-10-24-15/h2-5,7-8H,1,6,9-10H2,(H,20,22)

InChI Key

USKYZHKRKZTMNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.744

Distribution Coefficient, logD

3.744

Water Solubility, LogSw

-4.12

Polar Surface Area

55.884

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G634-0531 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G634-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G634-0531?
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What is the minimum amount of G634-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G634-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G634-0531
  • 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 G634-0531 available by request