G531-0042 Screening compound: methyl 4-chloro-2-({[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)benzoate

G531-0042 Screening compound: methyl 4-chloro-2-({[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)benzoate
G531-0042 Screening compound: methyl 4-chloro-2-({[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0042
methyl 4-chloro-2-({[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)benzoate

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

G531-0042

Molecular Formula

C17H21ClN4O3 (C17 H21 ClN4 O3)

Compound Name

methyl 4-chloro-2-({[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)benzoate

IUPAC name

methyl 4-chloro-2-({[2-(135-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)benzoate

SMILES

Cc1c(CCNC(Nc(cc(cc2)Cl)c2C(OC)=O)=O)c(C)nn1C

InChI

InChI=1S/C17H21ClN4O3/c1-10-13(11(2)22(3)21-10)7-8-19-17(24)20-15-9-12(18)5-6-14(15)16(23)25-4/h5-6,9H,7-8H2,1-4H3,(H2,19,20,24)

InChI Key

GXPMHGDXIDOVSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.916

Distribution Coefficient, logD

1.690

Water Solubility, LogSw

-3.24

Polar Surface Area

69.020

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

G531-0042 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G531-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0042?
Check Price and Availability of G531-0042, 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 G531-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0042
  • 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 G531-0042 available by request