G589-0631 Screening compound: 4-[(1-allyl-1H-indol-5-yl)sulfonyl]-N~1~-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide

G589-0631 Screening compound: 4-[(1-allyl-1H-indol-5-yl)sulfonyl]-N~1~-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide
G589-0631 Screening compound: 4-[(1-allyl-1H-indol-5-yl)sulfonyl]-N~1~-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G589-0631
4-[(1-allyl-1H-indol-5-yl)sulfonyl]-N~1~-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide

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

G589-0631

Molecular Formula

C25H30N4O3S (C25 H30 N4 O3 S)

Compound Name

4-[(1-allyl-1H-indol-5-yl)sulfonyl]-N~1~-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide

IUPAC name

N-(23-dimethylphenyl)-4-{[1-(prop-2-en-1-yl)-1H-indol-5-yl]sulfonyl}-14-diazepane-1-carboxamide

SMILES

Cc1cccc(NC(N(CCC2)CCN2S(c(cc2)cc3c2n(CC=C)cc3)(=O)=O)=O)c1C

InChI

InChI=1S/C25H30N4O3S/c1-4-12-27-15-11-21-18-22(9-10-24(21)27)33(31,32)29-14-6-13-28(16-17-29)25(30)26-23-8-5-7-19(2)20(23)3/h4-5,7-11,15,18H,1,6,12-14,16-17H2,2-3H3,(H,26,30)

InChI Key

ZBULJYIUGOLZQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.486

Distribution Coefficient, logD

4.486

Water Solubility, LogSw

-4.22

Polar Surface Area

58.949

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

G589-0631 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G589-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G589-0631?
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What is the minimum amount of G589-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G589-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G589-0631
  • 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 G589-0631 available by request