G331-0609 Screening compound: 1-benzyl-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)urea

G331-0609 Screening compound: 1-benzyl-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)urea
G331-0609 Screening compound: 1-benzyl-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0609
1-benzyl-3-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)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

G331-0609

Molecular Formula

C20H20ClN3O (C20 H20 ClN3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(NCc1cccn1Cc(cc1)ccc1Cl)NCc1ccccc1

InChI

InChI=1S/C20H20ClN3O/c21-18-10-8-17(9-11-18)15-24-12-4-7-19(24)14-23-20(25)22-13-16-5-2-1-3-6-16/h1-12H,13-15H2,(H2,22,23,25)

InChI Key

NTMNTIZXASJEAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.85

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.653

Distribution Coefficient, logD

3.653

Water Solubility, LogSw

-4.16

Polar Surface Area

37.256

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with G331-0609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0609?
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What is the minimum amount of G331-0609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0609
  • 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 G331-0609 available by request