7805-2183 Screening compound: (2E)-N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide

7805-2183 Screening compound: (2E)-N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide
7805-2183 Screening compound: (2E)-N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7805-2183
(2E)-N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-[5-(3-chloro-4-methylphenyl)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

7805-2183

Molecular Formula

C27H18Cl2N2O3 (C27 H18 Cl2 N2 O3)

Compound Name

(2E)-N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide

IUPAC name

(2E)-N-[3-(5-chloro-13-benzoxazol-2-yl)phenyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide

SMILES

Cc(ccc(-c1ccc(/C=C/C(Nc2cc(-c3nc(cc(cc4)Cl)c4o3)ccc2)=O)o1)c1)c1Cl

InChI

InChI=1S/C27H18Cl2N2O3/c1-16-5-6-17(14-22(16)29)24-11-8-21(33-24)9-12-26(32)30-20-4-2-3-18(13-20)27-31-23-15-19(28)7-10-25(23)34-27/h2-15H,1H3,(H,30,32)

InChI Key

PPLNHXYJMVTLGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08713012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.147

Distribution Coefficient, logD

8.147

Water Solubility, LogSw

-6.65

Polar Surface Area

47.496

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

7805-2183 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7805-2183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7805-2183?
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What is the minimum amount of 7805-2183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7805-2183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7805-2183
  • 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 7805-2183 available by request