G532-0042 Screening compound: methyl 4-chloro-2-({[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamoyl}amino)benzoate

G532-0042 Screening compound: methyl 4-chloro-2-({[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamoyl}amino)benzoate
G532-0042 Screening compound: methyl 4-chloro-2-({[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G532-0042
methyl 4-chloro-2-({[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]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

G532-0042

Molecular Formula

C16H19ClN4O3 (C16 H19 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H19ClN4O3/c1-9-13(10(2)21(3)20-9)8-18-16(23)19-14-7-11(17)5-6-12(14)15(22)24-4/h5-7H,8H2,1-4H3,(H2,18,19,23)

InChI Key

QYZDXUZURBXFSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.855

Distribution Coefficient, logD

1.809

Water Solubility, LogSw

-3.17

Polar Surface Area

69.179

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

G532-0042 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G532-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G532-0042?
Check Price and Availability of G532-0042, 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 G532-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G532-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G532-0042
  • 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 G532-0042 available by request