G331-0571 Screening compound: 3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(2,5-dimethoxyphenyl)urea

G331-0571 Screening compound: 3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(2,5-dimethoxyphenyl)urea
G331-0571 Screening compound: 3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(2,5-dimethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0571
3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(2,5-dimethoxyphenyl)urea

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

G331-0571

Molecular Formula

C21H22ClN3O3 (C21 H22 ClN3 O3)

Compound Name

3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(2,5-dimethoxyphenyl)urea

IUPAC name

3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-1-(25-dimethoxyphenyl)urea

SMILES

COc(cc1)cc(NC(NCc2cccn2Cc(cc2)ccc2Cl)=O)c1OC

InChI

InChI=1S/C21H22ClN3O3/c1-27-18-9-10-20(28-2)19(12-18)24-21(26)23-13-17-4-3-11-25(17)14-15-5-7-16(22)8-6-15/h3-12H,13-14H2,1-2H3,(H2,23,24,26)

InChI Key

VMSNBUFBXUHLAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.088

Distribution Coefficient, logD

4.088

Water Solubility, LogSw

-4.66

Polar Surface Area

50.410

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with G331-0571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0571?
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What is the minimum amount of G331-0571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0571
  • 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 G331-0571 available by request