G531-0031 Screening compound: 1-(3-bromophenyl)-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea

G531-0031 Screening compound: 1-(3-bromophenyl)-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea
G531-0031 Screening compound: 1-(3-bromophenyl)-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0031
1-(3-bromophenyl)-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]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

G531-0031

Molecular Formula

C15H19BrN4O (C15 H19 BrN4 O)

Compound Name

1-(3-bromophenyl)-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea

IUPAC name

1-(3-bromophenyl)-3-[2-(135-trimethyl-1H-pyrazol-4-yl)ethyl]urea

SMILES

Cc1c(CCNC(Nc2cccc(Br)c2)=O)c(C)nn1C

InChI

InChI=1S/C15H19BrN4O/c1-10-14(11(2)20(3)19-10)7-8-17-15(21)18-13-6-4-5-12(16)9-13/h4-6,9H,7-8H2,1-3H3,(H2,17,18,21)

InChI Key

KMEDPGRBIGZCFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.504

Distribution Coefficient, logD

2.504

Water Solubility, LogSw

-2.93

Polar Surface Area

48.544

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G531-0031 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G531-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0031?
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What is the minimum amount of G531-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0031
  • 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 G531-0031 available by request