2081-0718 Screening compound: N-[2-(5-BROMO-2-CHLOROPHENYL)-1,3-BENZOXAZOL-5-YL]FURAN-2-CARBOXAMIDE

2081-0718 Screening compound: N-[2-(5-BROMO-2-CHLOROPHENYL)-1,3-BENZOXAZOL-5-YL]FURAN-2-CARBOXAMIDE
2081-0718 Screening compound: N-[2-(5-BROMO-2-CHLOROPHENYL)-1,3-BENZOXAZOL-5-YL]FURAN-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-0718
N-[2-(5-BROMO-2-CHLOROPHENYL)-1,3-BENZOXAZOL-5-YL]FURAN-2-CARBOXAMIDE

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

2081-0718

Molecular Formula

C18H10BrClN2O3 (C18 H10 BrClN2 O3)

Compound Name

N-[2-(5-BROMO-2-CHLOROPHENYL)-1,3-BENZOXAZOL-5-YL]FURAN-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(c1ccco1)Nc(cc1)cc2c1oc(-c(cc(cc1)Br)c1Cl)n2

InChI

InChI=1S/C18H10BrClN2O3/c19-10-3-5-13(20)12(8-10)18-22-14-9-11(4-6-15(14)25-18)21-17(23)16-2-1-7-24-16/h1-9H,(H,21,23)

InChI Key

NJITYYKVEHVVBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.171

Distribution Coefficient, logD

5.171

Water Solubility, LogSw

-5.65

Polar Surface Area

48.718

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2081-0718 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2081-0718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-0718?
Check Price and Availability of 2081-0718, 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 2081-0718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-0718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-0718
  • 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 2081-0718 available by request