G531-0095 Screening compound: methyl 2-({[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)benzoate

G531-0095 Screening compound: methyl 2-({[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)benzoate
G531-0095 Screening compound: methyl 2-({[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G531-0095
methyl 2-({[2-(1-ethyl-3,5-dimethyl-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

G531-0095

Molecular Formula

C18H24N4O3 (C18 H24 N4 O3)

Compound Name

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

IUPAC name

methyl 2-({[2-(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}amino)benzoate

SMILES

CCn1nc(C)c(CCNC(Nc(cccc2)c2C(OC)=O)=O)c1C

InChI

InChI=1S/C18H24N4O3/c1-5-22-13(3)14(12(2)21-22)10-11-19-18(24)20-16-9-7-6-8-15(16)17(23)25-4/h6-9H,5,10-11H2,1-4H3,(H2,19,20,24)

InChI Key

CJEFNJUJNFIJAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.960

Distribution Coefficient, logD

1.956

Water Solubility, LogSw

-2.68

Polar Surface Area

68.459

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

G531-0095 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 G531-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G531-0095?
Check Price and Availability of G531-0095, 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 G531-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G531-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G531-0095
  • 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 G531-0095 available by request