0502-0026 Screening compound: 2,2-diphenyl-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)acetamide

0502-0026 Screening compound: 2,2-diphenyl-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)acetamide
0502-0026 Screening compound: 2,2-diphenyl-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0502-0026
2,2-diphenyl-N-(2,2,2-trichloro-1-{[(2-methoxy-5-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

0502-0026

Molecular Formula

C24H21Cl3N4O4S (C24 H21 Cl3 N4 O4 S)

Compound Name

2,2-diphenyl-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)acetamide

IUPAC name

22-diphenyl-N-(222-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)acetamide

SMILES

COc(ccc([N+]([O-])=O)c1)c1NC(NC(C(Cl)(Cl)Cl)NC(C(c1ccccc1)c1ccccc1)=O)=S

InChI

InChI=1S/C24H21Cl3N4O4S/c1-35-19-13-12-17(31(33)34)14-18(19)28-23(36)30-22(24(25,26)27)29-21(32)20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20,22H,1H3,(H,29,32)(H2,28,30,36)/t22-/m0/s1

InChI Key

NQMJALLIYYSGLL-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00268439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.88

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.728

Distribution Coefficient, logD

4.949

Water Solubility, LogSw

-6.14

Polar Surface Area

83.402

Acid Dissociation Constant (pKa)

6.70

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 0502-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0502-0026?
Check Price and Availability of 0502-0026, 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 0502-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0502-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0502-0026
  • 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 0502-0026 available by request