1501-0536 Screening compound: 2-nitro-N-(2,2,2-trichloro-1-{[(3-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide

1501-0536 Screening compound: 2-nitro-N-(2,2,2-trichloro-1-{[(3-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide
1501-0536 Screening compound: 2-nitro-N-(2,2,2-trichloro-1-{[(3-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1501-0536
2-nitro-N-(2,2,2-trichloro-1-{[(3-hydroxyphenyl)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

1501-0536

Molecular Formula

C16H13Cl3N4O4S (C16 H13 Cl3 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cccc1)c1C(NC(C(Cl)(Cl)Cl)NC(Nc1cc(O)ccc1)=S)=O)=O

InChI

InChI=1S/C16H13Cl3N4O4S/c17-16(18,19)14(22-15(28)20-9-4-3-5-10(24)8-9)21-13(25)11-6-1-2-7-12(11)23(26)27/h1-8,14,24H,(H,21,25)(H2,20,22,28)/t14-/m0/s1

InChI Key

TVGKDAYIRRZBFF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00349936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.73

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.540

Distribution Coefficient, logD

0.380

Water Solubility, LogSw

-3.70

Polar Surface Area

94.057

Acid Dissociation Constant (pKa)

4.24

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 1501-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1501-0536?
Check Price and Availability of 1501-0536, 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 1501-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1501-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1501-0536
  • 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 1501-0536 available by request