7793-3687 Screening compound: (2E)-N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide

7793-3687 Screening compound: (2E)-N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide
7793-3687 Screening compound: (2E)-N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7793-3687
(2E)-N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-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

7793-3687

Molecular Formula

C28H21ClN2O3 (C28 H21 ClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(-c1ccc(/C=C/C(Nc2c(C)c(-c3nc(cccc4)c4o3)ccc2)=O)o1)c1)c1Cl

InChI

InChI=1S/C28H21ClN2O3/c1-17-10-11-19(16-22(17)29)25-14-12-20(33-25)13-15-27(32)30-23-8-5-6-21(18(23)2)28-31-24-7-3-4-9-26(24)34-28/h3-16H,1-2H3,(H,30,32)

InChI Key

QAOKSWVMXIARCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08713006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.94

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

7.883

Distribution Coefficient, logD

7.883

Water Solubility, LogSw

-6.42

Polar Surface Area

46.798

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

7793-3687 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 7793-3687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7793-3687?
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What is the minimum amount of 7793-3687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7793-3687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7793-3687
  • 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 7793-3687 available by request