G373-3122 Screening compound: 1,4-dimethyl 2-[({2-[5-(dimethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}carbamoyl)amino]benzene-1,4-dicarboxylate

G373-3122 Screening compound: 1,4-dimethyl 2-[({2-[5-(dimethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}carbamoyl)amino]benzene-1,4-dicarboxylate
G373-3122 Screening compound: 1,4-dimethyl 2-[({2-[5-(dimethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}carbamoyl)amino]benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G373-3122
1,4-dimethyl 2-[({2-[5-(dimethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}carbamoyl)amino]benzene-1,4-dicarboxylate

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

G373-3122

Molecular Formula

C21H24N6O7S (C21 H24 N6 O7 S)

Compound Name

1,4-dimethyl 2-[({2-[5-(dimethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}carbamoyl)amino]benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-[({2-[5-(dimethylsulfamoyl)-1H-123-benzotriazol-1-yl]ethyl}carbamoyl)amino]benzene-14-dicarboxylate

SMILES

CN(C)S(c(cc1)cc2c1n(CCNC(Nc(cc(cc1)C(OC)=O)c1C(OC)=O)=O)nn2)(=O)=O

InChI

InChI=1S/C21H24N6O7S/c1-26(2)35(31,32)14-6-8-18-17(12-14)24-25-27(18)10-9-22-21(30)23-16-11-13(19(28)33-3)5-7-15(16)20(29)34-4/h5-8,11-12H,9-10H2,1-4H3,(H2,22,23,30)

InChI Key

FSHDGKRKFUFIND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27137936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.52

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.516

Distribution Coefficient, logD

1.508

Water Solubility, LogSw

-2.61

Polar Surface Area

134.695

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G373-3122 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G373-3122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G373-3122?
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What is the minimum amount of G373-3122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G373-3122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G373-3122
  • 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 G373-3122 available by request