G331-0121 Screening compound: methyl 4-chloro-2-{[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzoate

G331-0121 Screening compound: methyl 4-chloro-2-{[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzoate
G331-0121 Screening compound: methyl 4-chloro-2-{[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0121
methyl 4-chloro-2-{[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzoate

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

G331-0121

Molecular Formula

C22H22ClN3O3 (C22 H22 ClN3 O3)

Compound Name

methyl 4-chloro-2-{[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzoate

IUPAC name

methyl 4-chloro-2-{[({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]amino}benzoate

SMILES

Cc1cccc(Cn2c(CNC(Nc(cc(cc3)Cl)c3C(OC)=O)=O)ccc2)c1

InChI

InChI=1S/C22H22ClN3O3/c1-15-5-3-6-16(11-15)14-26-10-4-7-18(26)13-24-22(28)25-20-12-17(23)8-9-19(20)21(27)29-2/h3-12H,13-14H2,1-2H3,(H2,24,25,28)

InChI Key

UTXHXNNGZBKWGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.676

Distribution Coefficient, logD

4.600

Water Solubility, LogSw

-4.82

Polar Surface Area

56.410

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with G331-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0121?
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What is the minimum amount of G331-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0121
  • 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 G331-0121 available by request