G331-0028 Screening compound: 3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-(2-bromophenyl)urea

G331-0028 Screening compound: 3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-(2-bromophenyl)urea
G331-0028 Screening compound: 3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-(2-bromophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G331-0028
3-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-(2-bromophenyl)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

G331-0028

Molecular Formula

C19H18BrN3O (C19 H18 BrN3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(NCc1cccn1Cc1ccccc1)Nc(cccc1)c1Br

InChI

InChI=1S/C19H18BrN3O/c20-17-10-4-5-11-18(17)22-19(24)21-13-16-9-6-12-23(16)14-15-7-2-1-3-8-15/h1-12H,13-14H2,(H2,21,22,24)

InChI Key

ZFCHVGOKEUGYGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14998044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.28

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

4.073

Distribution Coefficient, logD

4.073

Water Solubility, LogSw

-4.31

Polar Surface Area

35.236

Acid Dissociation Constant (pKa)

12.93

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with G331-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G331-0028?
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What is the minimum amount of G331-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G331-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G331-0028
  • 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 G331-0028 available by request