0966-0057 Screening compound: 2-phenyl-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide

0966-0057 Screening compound: 2-phenyl-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide
0966-0057 Screening compound: 2-phenyl-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0966-0057
2-phenyl-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide

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

0966-0057

Molecular Formula

C17H15Cl3N4O3S (C17 H15 Cl3 N4 O3 S)

Compound Name

2-phenyl-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide

IUPAC name

2-phenyl-N-(222-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide

SMILES

[O-][N+](c(cc1)ccc1NC(NC(C(Cl)(Cl)Cl)NC(Cc1ccccc1)=O)=S)=O

InChI

InChI=1S/C17H15Cl3N4O3S/c18-17(19,20)15(22-14(25)10-11-4-2-1-3-5-11)23-16(28)21-12-6-8-13(9-7-12)24(26)27/h1-9,15H,10H2,(H,22,25)(H2,21,23,28)/t15-/m0/s1

InChI Key

NQZANCWKDVTZFV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00549176

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

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.976

Distribution Coefficient, logD

3.754

Water Solubility, LogSw

-4.40

Polar Surface Area

76.528

Acid Dissociation Constant (pKa)

7.58

Base Dissociation Constant (pKb)

-5.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 0966-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0966-0057?
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What is the minimum amount of 0966-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0966-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0966-0057
  • 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 0966-0057 available by request