C644-0253 Screening compound: (2E)-2-(benzenesulfonyl)-3-[(2,6-diethylphenyl)amino]-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enenitrile

C644-0253 Screening compound: (2E)-2-(benzenesulfonyl)-3-[(2,6-diethylphenyl)amino]-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enenitrile
C644-0253 Screening compound: (2E)-2-(benzenesulfonyl)-3-[(2,6-diethylphenyl)amino]-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C644-0253
(2E)-2-(benzenesulfonyl)-3-[(2,6-diethylphenyl)amino]-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enenitrile

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

C644-0253

Molecular Formula

C27H28N2O2S2 (C27 H28 N2 O2 S2)

Compound Name

(2E)-2-(benzenesulfonyl)-3-[(2,6-diethylphenyl)amino]-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enenitrile

IUPAC name

(2E)-2-(benzenesulfonyl)-3-[(26-diethylphenyl)amino]-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enenitrile

SMILES

CCc1cccc(CC)c1N/C(/SCc1c(C)cccc1)=C(/C#N)\S(c1ccccc1)(=O)=O

InChI

InChI=1S/C27H28N2O2S2/c1-4-21-14-11-15-22(5-2)26(21)29-27(32-19-23-13-10-9-12-20(23)3)25(18-28)33(30,31)24-16-7-6-8-17-24/h6-17,29H,4-5,19H2,1-3H3

InChI Key

QMOJVIONZQJQPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.934

Distribution Coefficient, logD

6.934

Water Solubility, LogSw

-5.95

Polar Surface Area

55.091

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

-8.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C644-0253 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 C644-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C644-0253?
Check Price and Availability of C644-0253, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C644-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C644-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C644-0253
  • 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 C644-0253 available by request