G331-0422 Screening compound: 1,4-dimethyl 2-{[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzene-1,4-dicarboxylate

G331-0422 Screening compound: 1,4-dimethyl 2-{[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzene-1,4-dicarboxylate
G331-0422 Screening compound: 1,4-dimethyl 2-{[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0422
1,4-dimethyl 2-{[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)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

G331-0422

Molecular Formula

C26H29N3O5 (C26 H29 N3 O5)

Compound Name

1,4-dimethyl 2-{[({1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-{[({1-[(246-trimethylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzene-14-dicarboxylate

SMILES

Cc1cc(C)c(Cn2c(CNC(Nc(cc(cc3)C(OC)=O)c3C(OC)=O)=O)ccc2)c(C)c1

InChI

InChI=1S/C26H29N3O5/c1-16-11-17(2)22(18(3)12-16)15-29-10-6-7-20(29)14-27-26(32)28-23-13-19(24(30)33-4)8-9-21(23)25(31)34-5/h6-13H,14-15H2,1-5H3,(H2,27,28,32)

InChI Key

FQFJDBVISLXDBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.193

Distribution Coefficient, logD

5.189

Water Solubility, LogSw

-5.01

Polar Surface Area

77.584

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

G331-0422 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G331-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0422?
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What is the minimum amount of G331-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0422
  • 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 G331-0422 available by request