0671-0022 Screening compound: (Z)-(ethyl N-[(E)-[(4-chlorobenzenesulfonyl)imino](phenyl)methyl]-4-methylbenzene-1-carboximidate)

0671-0022 Screening compound: (Z)-(ethyl N-[(E)-[(4-chlorobenzenesulfonyl)imino](phenyl)methyl]-4-methylbenzene-1-carboximidate)
0671-0022 Screening compound: (Z)-(ethyl N-[(E)-[(4-chlorobenzenesulfonyl)imino](phenyl)methyl]-4-methylbenzene-1-carboximidate) alternative view

Chemical Structure Depiction of ChemDiv screening compound 0671-0022
(Z)-(ethyl N-[(E)-[(4-chlorobenzenesulfonyl)imino](phenyl)methyl]-4-methylbenzene-1-carboximidate)

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

0671-0022

Molecular Formula

C23H21ClN2O3S (C23 H21 ClN2 O3 S)

Compound Name

(Z)-(ethyl N-[(E)-[(4-chlorobenzenesulfonyl)imino](phenyl)methyl]-4-methylbenzene-1-carboximidate)

IUPAC name

(Z)-(ethyl N-[(E)-[(4-chlorobenzenesulfonyl)imino](phenyl)methyl]-4-methylbenzene-1-carboximidate)

SMILES

CCO/C(/c1ccc(C)cc1)=N\C(\c1ccccc1)=N\S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C23H21ClN2O3S/c1-3-29-23(19-11-9-17(2)10-12-19)25-22(18-7-5-4-6-8-18)26-30(27,28)21-15-13-20(24)14-16-21/h4-16H,3H2,1-2H3

InChI Key

TZCUUCVASQVFQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00990760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.803

Distribution Coefficient, logD

5.803

Water Solubility, LogSw

-6.10

Polar Surface Area

54.502

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

0671-0022 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0671-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0671-0022?
Check Price and Availability of 0671-0022, 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 0671-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0671-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0671-0022
  • 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 0671-0022 available by request