1492-0077 Screening compound: 2,4-dichloro-N-{[(2-chlorophenyl)methoxy]methanethioyl}benzamide

1492-0077 Screening compound: 2,4-dichloro-N-{[(2-chlorophenyl)methoxy]methanethioyl}benzamide
1492-0077 Screening compound: 2,4-dichloro-N-{[(2-chlorophenyl)methoxy]methanethioyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1492-0077
2,4-dichloro-N-{[(2-chlorophenyl)methoxy]methanethioyl}benzamide

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

1492-0077

Molecular Formula

C15H10Cl3NO2S (C15 H10 Cl3 NO2 S)

Compound Name

2,4-dichloro-N-{[(2-chlorophenyl)methoxy]methanethioyl}benzamide

IUPAC name

24-dichloro-N-{[(2-chlorophenyl)methoxy]methanethioyl}benzamide

SMILES

O=C(c(ccc(Cl)c1)c1Cl)NC(OCc(cccc1)c1Cl)=S

InChI

InChI=1S/C15H10Cl3NO2S/c16-10-5-6-11(13(18)7-10)14(20)19-15(22)21-8-9-3-1-2-4-12(9)17/h1-7H,8H2,(H,19,20,22)

InChI Key

DDOJNQSBCPQLLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00525724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.983

Distribution Coefficient, logD

2.913

Water Solubility, LogSw

-5.17

Polar Surface Area

31.937

Acid Dissociation Constant (pKa)

5.33

Base Dissociation Constant (pKb)

-5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 1492-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1492-0077?
Check Price and Availability of 1492-0077, 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 1492-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1492-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1492-0077
  • 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 1492-0077 available by request