G331-0004 Screening compound: 3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-(3-chlorophenyl)urea

G331-0004 Screening compound: 3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-(3-chlorophenyl)urea
G331-0004 Screening compound: 3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-(3-chlorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0004
3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-(3-chlorophenyl)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

G331-0004

Molecular Formula

C19H18ClN3O (C19 H18 ClN3 O)

Compound Name

3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-(3-chlorophenyl)urea

IUPAC name

3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-(3-chlorophenyl)urea

SMILES

O=C(NCc1cccn1Cc1ccccc1)Nc1cccc(Cl)c1

InChI

InChI=1S/C19H18ClN3O/c20-16-8-4-9-17(12-16)22-19(24)21-13-18-10-5-11-23(18)14-15-6-2-1-3-7-15/h1-12H,13-14H2,(H2,21,22,24)

InChI Key

SMZZSZKUQVBTBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.82

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.563

Distribution Coefficient, logD

4.563

Water Solubility, LogSw

-4.66

Polar Surface Area

35.934

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with G331-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0004?
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What is the minimum amount of G331-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0004
  • 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 G331-0004 available by request