G531-0017 Screening compound: 1-(5-chloro-2-methoxyphenyl)-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea

G531-0017 Screening compound: 1-(5-chloro-2-methoxyphenyl)-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea
G531-0017 Screening compound: 1-(5-chloro-2-methoxyphenyl)-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0017
1-(5-chloro-2-methoxyphenyl)-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

G531-0017

Molecular Formula

C16H21ClN4O2 (C16 H21 ClN4 O2)

Compound Name

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

IUPAC name

1-(5-chloro-2-methoxyphenyl)-3-[2-(135-trimethyl-1H-pyrazol-4-yl)ethyl]urea

SMILES

Cc1c(CCNC(Nc(cc(cc2)Cl)c2OC)=O)c(C)nn1C

InChI

InChI=1S/C16H21ClN4O2/c1-10-13(11(2)21(3)20-10)7-8-18-16(22)19-14-9-12(17)5-6-15(14)23-4/h5-6,9H,7-8H2,1-4H3,(H2,18,19,22)

InChI Key

DISMTPJBUFIUKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.950

Distribution Coefficient, logD

1.948

Water Solubility, LogSw

-3.01

Polar Surface Area

55.477

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

G531-0017 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G531-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0017?
Check Price and Availability of G531-0017, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G531-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0017
  • 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 G531-0017 available by request