8290-03142 Screening compound: (2E)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide

8290-03142 Screening compound: (2E)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
8290-03142 Screening compound: (2E)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8290-03142
(2E)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide

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

8290-03142

Molecular Formula

C20H12Cl2N2O3 (C20 H12 Cl2 N2 O3)

Compound Name

(2E)-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide

IUPAC name

(2E)-N-[2-chloro-5-(5-chloro-13-benzoxazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide

SMILES

O=C(/C=C/c1ccco1)Nc(cc(cc1)-c2nc(cc(cc3)Cl)c3o2)c1Cl

InChI

InChI=1S/C20H12Cl2N2O3/c21-13-4-7-18-17(11-13)24-20(27-18)12-3-6-15(22)16(10-12)23-19(25)8-5-14-2-1-9-26-14/h1-11H,(H,23,25)

InChI Key

OYLMTDLLFXGHFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09961470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.520

Distribution Coefficient, logD

5.520

Water Solubility, LogSw

-6.06

Polar Surface Area

46.977

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8290-03142 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8290-03142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8290-03142?
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What is the minimum amount of 8290-03142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8290-03142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8290-03142
  • 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 8290-03142 available by request