0602-0113 Screening compound: 3-iodo-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)benzamide

0602-0113 Screening compound: 3-iodo-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
0602-0113 Screening compound: 3-iodo-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0602-0113
3-iodo-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

0602-0113

Molecular Formula

C16H12Cl3IN4O3S (C16 H12 Cl3 IN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1NC(NC(C(Cl)(Cl)Cl)NC(c1cccc(I)c1)=O)=S)=O

InChI

InChI=1S/C16H12Cl3IN4O3S/c17-16(18,19)14(22-13(25)9-2-1-3-10(20)8-9)23-15(28)21-11-4-6-12(7-5-11)24(26)27/h1-8,14H,(H,22,25)(H2,21,23,28)/t14-/m0/s1

InChI Key

UXPJJSQQLDENSF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00666730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

573.63

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

5.197

Distribution Coefficient, logD

3.578

Water Solubility, LogSw

-5.83

Polar Surface Area

76.741

Acid Dissociation Constant (pKa)

5.79

Base Dissociation Constant (pKb)

-4.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 0602-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0602-0113?
Check Price and Availability of 0602-0113, 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 0602-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0602-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0602-0113
  • 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 0602-0113 available by request