8007-6158 Screening compound: 4-[(E)-{[(4-chlorophenyl)formamido]imino}methyl]phenyl (2E)-3-(furan-2-yl)prop-2-enoate

8007-6158 Screening compound: 4-[(E)-{[(4-chlorophenyl)formamido]imino}methyl]phenyl (2E)-3-(furan-2-yl)prop-2-enoate
8007-6158 Screening compound: 4-[(E)-{[(4-chlorophenyl)formamido]imino}methyl]phenyl (2E)-3-(furan-2-yl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6158
4-[(E)-{[(4-chlorophenyl)formamido]imino}methyl]phenyl (2E)-3-(furan-2-yl)prop-2-enoate

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

8007-6158

Molecular Formula

C21H15ClN2O4 (C21 H15 ClN2 O4)

Compound Name

4-[(E)-{[(4-chlorophenyl)formamido]imino}methyl]phenyl (2E)-3-(furan-2-yl)prop-2-enoate

IUPAC name

4-[(E)-{[(4-chlorophenyl)formamido]imino}methyl]phenyl (2E)-3-(furan-2-yl)prop-2-enoate

SMILES

O=C(/C=C/c1ccco1)Oc1ccc(/C=N/NC(c(cc2)ccc2Cl)=O)cc1

InChI

InChI=1S/C21H15ClN2O4/c22-17-7-5-16(6-8-17)21(26)24-23-14-15-3-9-19(10-4-15)28-20(25)12-11-18-2-1-13-27-18/h1-14H,(H,24,26)

InChI Key

BKWWSWRYASGXAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02645943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.81

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.412

Distribution Coefficient, logD

4.344

Water Solubility, LogSw

-5.11

Polar Surface Area

63.086

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8007-6158 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8007-6158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-6158?
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What is the minimum amount of 8007-6158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-6158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-6158
  • 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 8007-6158 available by request