8008-7384 Screening compound: (E)-N~1~-{2-[(4-chlorobenzyl)sulfanyl]ethyl}-3-(3,4-dimethoxyphenyl)-2-propenamide

8008-7384 Screening compound: (E)-N~1~-{2-[(4-chlorobenzyl)sulfanyl]ethyl}-3-(3,4-dimethoxyphenyl)-2-propenamide
8008-7384 Screening compound: (E)-N~1~-{2-[(4-chlorobenzyl)sulfanyl]ethyl}-3-(3,4-dimethoxyphenyl)-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-7384
(E)-N~1~-{2-[(4-chlorobenzyl)sulfanyl]ethyl}-3-(3,4-dimethoxyphenyl)-2-propenamide

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

8008-7384

Molecular Formula

C20H22ClNO3S (C20 H22 ClNO3 S)

Compound Name

(E)-N~1~-{2-[(4-chlorobenzyl)sulfanyl]ethyl}-3-(3,4-dimethoxyphenyl)-2-propenamide

IUPAC name

(2E)-N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-3-(34-dimethoxyphenyl)prop-2-enamide

SMILES

COc(ccc(/C=C/C(NCCSCc(cc1)ccc1Cl)=O)c1)c1OC

InChI

InChI=1S/C20H22ClNO3S/c1-24-18-9-5-15(13-19(18)25-2)6-10-20(23)22-11-12-26-14-16-3-7-17(21)8-4-16/h3-10,13H,11-12,14H2,1-2H3,(H,22,23)

InChI Key

OCTWCUMBGKYCAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01187530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.395

Distribution Coefficient, logD

4.395

Water Solubility, LogSw

-4.75

Polar Surface Area

39.541

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8008-7384 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 8008-7384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-7384?
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What is the minimum amount of 8008-7384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-7384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-7384
  • 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 8008-7384 available by request