1309-0938 Screening compound: 3-methyl-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)benzamide

1309-0938 Screening compound: 3-methyl-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
1309-0938 Screening compound: 3-methyl-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-0938
3-methyl-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)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

1309-0938

Molecular Formula

C17H15Cl3N4O3S (C17 H15 Cl3 N4 O3 S)

Compound Name

3-methyl-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)benzamide

IUPAC name

3-methyl-N-(222-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)benzamide

SMILES

Cc1cccc(C(NC(C(Cl)(Cl)Cl)NC(Nc(cc2)ccc2[N+]([O-])=O)=S)=O)c1

InChI

InChI=1S/C17H15Cl3N4O3S/c1-10-3-2-4-11(9-10)14(25)22-15(17(18,19)20)23-16(28)21-12-5-7-13(8-6-12)24(26)27/h2-9,15H,1H3,(H,22,25)(H2,21,23,28)/t15-/m0/s1

InChI Key

YZCHDFGSVVZHBH-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00349941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.76

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.457

Distribution Coefficient, logD

3.185

Water Solubility, LogSw

-4.69

Polar Surface Area

76.741

Acid Dissociation Constant (pKa)

6.15

Base Dissociation Constant (pKb)

-4.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

1309-0938 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1309-0938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-0938?
Check Price and Availability of 1309-0938, 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 1309-0938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-0938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-0938
  • 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 1309-0938 available by request