G531-0011 Screening compound: methyl 2-({[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)benzoate

G531-0011 Screening compound: methyl 2-({[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)benzoate
G531-0011 Screening compound: methyl 2-({[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0011
methyl 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

G531-0011

Molecular Formula

C17H22N4O3 (C17 H22 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CCNC(Nc(cccc2)c2C(OC)=O)=O)c(C)nn1C

InChI

InChI=1S/C17H22N4O3/c1-11-13(12(2)21(3)20-11)9-10-18-17(23)19-15-8-6-5-7-14(15)16(22)24-4/h5-8H,9-10H2,1-4H3,(H2,18,19,23)

InChI Key

APMFMTNMVKDUNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.39

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

1.422

Distribution Coefficient, logD

1.417

Water Solubility, LogSw

-2.17

Polar Surface Area

69.020

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

G531-0011 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G531-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0011?
Check Price and Availability of G531-0011, 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 G531-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0011
  • 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 G531-0011 available by request