0318-0022 Screening compound: N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide

0318-0022 Screening compound: N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
0318-0022 Screening compound: N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0318-0022
N-(2,2,2-trichloro-1-{[(3-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

0318-0022

Molecular Formula

C16H13Cl3N4O3S (C16 H13 Cl3 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cccc(NC(NC(C(Cl)(Cl)Cl)NC(c2ccccc2)=O)=S)c1)=O

InChI

InChI=1S/C16H13Cl3N4O3S/c17-16(18,19)14(21-13(24)10-5-2-1-3-6-10)22-15(27)20-11-7-4-8-12(9-11)23(25)26/h1-9,14H,(H,21,24)(H2,20,22,27)/t14-/m0/s1

InChI Key

FLXQCYPMLDYAIY-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00225856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.73

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

4.123

Distribution Coefficient, logD

3.335

Water Solubility, LogSw

-4.65

Polar Surface Area

76.741

Acid Dissociation Constant (pKa)

6.69

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 0318-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0318-0022?
Check Price and Availability of 0318-0022, 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 0318-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0318-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0318-0022
  • 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 0318-0022 available by request