1970-0093 Screening compound: N-[(E)-[(4-methylbenzenesulfonyl)imino](phenyl)methyl]propoxycarbothioamide

1970-0093 Screening compound: N-[(E)-[(4-methylbenzenesulfonyl)imino](phenyl)methyl]propoxycarbothioamide
1970-0093 Screening compound: N-[(E)-[(4-methylbenzenesulfonyl)imino](phenyl)methyl]propoxycarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1970-0093
N-[(E)-[(4-methylbenzenesulfonyl)imino](phenyl)methyl]propoxycarbothioamide

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

1970-0093

Molecular Formula

C18H20N2O3S2 (C18 H20 N2 O3 S2)

Compound Name

N-[(E)-[(4-methylbenzenesulfonyl)imino](phenyl)methyl]propoxycarbothioamide

IUPAC name

N-[(E)-[(4-methylbenzenesulfonyl)imino](phenyl)methyl]propoxycarbothioamide

SMILES

CCCOC(N/C(/c1ccccc1)=N/S(c1ccc(C)cc1)(=O)=O)=S

InChI

InChI=1S/C18H20N2O3S2/c1-3-13-23-18(24)19-17(15-7-5-4-6-8-15)20-25(21,22)16-11-9-14(2)10-12-16/h4-12H,3,13H2,1-2H3,(H,19,20,24)

InChI Key

NIUQAOQOLIUMJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00188972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.443

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-4.20

Polar Surface Area

57.486

Acid Dissociation Constant (pKa)

6.46

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

1970-0093 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1970-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1970-0093?
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What is the minimum amount of 1970-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1970-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1970-0093
  • 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 1970-0093 available by request