0242-0634 Screening compound: ethyl 4-[(4-bromoanilino)carbonyl]-1H-imidazole-5-carboxylate

0242-0634 Screening compound: ethyl 4-[(4-bromoanilino)carbonyl]-1H-imidazole-5-carboxylate
0242-0634 Screening compound: ethyl 4-[(4-bromoanilino)carbonyl]-1H-imidazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0634
ethyl 4-[(4-bromoanilino)carbonyl]-1H-imidazole-5-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

0242-0634

Molecular Formula

C13H12BrN3O3 (C13 H12 BrN3 O3)

Compound Name

ethyl 4-[(4-bromoanilino)carbonyl]-1H-imidazole-5-carboxylate

IUPAC name

ethyl 4-[(4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylate

SMILES

CCOC(c1c(C(Nc(cc2)ccc2Br)=O)nc[nH]1)=O

InChI

InChI=1S/C13H12BrN3O3/c1-2-20-13(19)11-10(15-7-16-11)12(18)17-9-5-3-8(14)4-6-9/h3-7H,2H2,1H3,(H,15,16)(H,17,18)

InChI Key

CQLCBLHFCIJLJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00984733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.574

Distribution Coefficient, logD

2.567

Water Solubility, LogSw

-2.94

Polar Surface Area

66.452

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

0242-0634 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0242-0634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0634?
Check Price and Availability of 0242-0634, 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 0242-0634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0634
  • 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 0242-0634 available by request