C791-0936 Screening compound: ethyl 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1H-imidazole-2-carboxylate

C791-0936 Screening compound: ethyl 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1H-imidazole-2-carboxylate
C791-0936 Screening compound: ethyl 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1H-imidazole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0936
ethyl 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1H-imidazole-2-carboxylate

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

C791-0936

Molecular Formula

C15H16ClN3O3 (C15 H16 ClN3 O3)

Compound Name

ethyl 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1H-imidazole-2-carboxylate

IUPAC name

ethyl 1-{[(3-chloro-2-methylphenyl)carbamoyl]methyl}-1H-imidazole-2-carboxylate

SMILES

CCOC(c1nccn1CC(Nc1cccc(Cl)c1C)=O)=O

InChI

InChI=1S/C15H16ClN3O3/c1-3-22-15(21)14-17-7-8-19(14)9-13(20)18-12-6-4-5-11(16)10(12)2/h4-8H,3,9H2,1-2H3,(H,18,20)

InChI Key

YRLUDGNZRLQBPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.76

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.509

Distribution Coefficient, logD

2.508

Water Solubility, LogSw

-3.03

Polar Surface Area

54.953

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

References: we are preparing a list of scientific research reports with C791-0936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0936?
Check Price and Availability of C791-0936, 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 C791-0936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0936
  • 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 C791-0936 available by request