G373-3105 Screening compound: 1,4-dimethyl 2-[({2-[5-(diethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}carbamoyl)amino]benzene-1,4-dicarboxylate

G373-3105 Screening compound: 1,4-dimethyl 2-[({2-[5-(diethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}carbamoyl)amino]benzene-1,4-dicarboxylate
G373-3105 Screening compound: 1,4-dimethyl 2-[({2-[5-(diethylsulfamoyl)-1H-1,2,3-benzotriazol-1-yl]ethyl}carbamoyl)amino]benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G373-3105
1,4-dimethyl 2-[({2-[5-(diethylsulfamoyl)-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

G373-3105

Molecular Formula

C23H28N6O7S (C23 H28 N6 O7 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H28N6O7S/c1-5-28(6-2)37(33,34)16-8-10-20-19(14-16)26-27-29(20)12-11-24-23(32)25-18-13-15(21(30)35-3)7-9-17(18)22(31)36-4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H2,24,25,32)

InChI Key

QMKWGIOABRTIBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27137928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.58

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.102

Distribution Coefficient, logD

2.095

Water Solubility, LogSw

-3.16

Polar Surface Area

132.127

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G373-3105 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Antibacterial Compounds Library (13827 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
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G373-3105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G373-3105?
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What is the minimum amount of G373-3105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G373-3105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G373-3105
  • 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 G373-3105 available by request