0319-0067 Screening compound: benzyl N-(2,2,2-trichloro-1-{[(2-methyl-4-nitrophenyl)carbamothioyl]amino}ethyl)carbamate

0319-0067 Screening compound: benzyl N-(2,2,2-trichloro-1-{[(2-methyl-4-nitrophenyl)carbamothioyl]amino}ethyl)carbamate
0319-0067 Screening compound: benzyl N-(2,2,2-trichloro-1-{[(2-methyl-4-nitrophenyl)carbamothioyl]amino}ethyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0319-0067
benzyl N-(2,2,2-trichloro-1-{[(2-methyl-4-nitrophenyl)carbamothioyl]amino}ethyl)carbamate

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

0319-0067

Molecular Formula

C18H17Cl3N4O4S (C18 H17 Cl3 N4 O4 S)

Compound Name

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

IUPAC name

benzyl N-(222-trichloro-1-{[(2-methyl-4-nitrophenyl)carbamothioyl]amino}ethyl)carbamate

SMILES

Cc(cc(cc1)[N+]([O-])=O)c1NC(NC(C(Cl)(Cl)Cl)NC(OCc1ccccc1)=O)=S

InChI

InChI=1S/C18H17Cl3N4O4S/c1-11-9-13(25(27)28)7-8-14(11)22-16(30)23-15(18(19,20)21)24-17(26)29-10-12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,24,26)(H2,22,23,30)/t15-/m0/s1

InChI Key

KFQQBSCPTZKXGH-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00226213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.78

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.275

Distribution Coefficient, logD

5.068

Water Solubility, LogSw

-5.76

Polar Surface Area

84.500

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

-4.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 0319-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0319-0067?
Check Price and Availability of 0319-0067, 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 0319-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0319-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0319-0067
  • 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 0319-0067 available by request