8602-0036 Screening compound: 4-amino-N-[1-(2-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzene-1-sulfonamide

8602-0036 Screening compound: 4-amino-N-[1-(2-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzene-1-sulfonamide
8602-0036 Screening compound: 4-amino-N-[1-(2-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8602-0036
4-amino-N-[1-(2-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzene-1-sulfonamide

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

8602-0036

Molecular Formula

C16H12ClF3N4O4S (C16 H12 ClF3 N4 O4 S)

Compound Name

4-amino-N-[1-(2-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzene-1-sulfonamide

IUPAC name

4-amino-N-[1-(2-chlorophenyl)-25-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzene-1-sulfonamide

SMILES

Nc(cc1)ccc1S(NC(C(F)(F)F)(C(N1c(cccc2)c2Cl)=O)NC1=O)(=O)=O

InChI

InChI=1S/C16H12ClF3N4O4S/c17-11-3-1-2-4-12(11)24-13(25)15(16(18,19)20,22-14(24)26)23-29(27,28)10-7-5-9(21)6-8-10/h1-8,23H,21H2,(H,22,26)/t15-/m0/s1

InChI Key

BGLVZRSZOZYWRK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06002764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.81

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.772

Distribution Coefficient, logD

-1.149

Water Solubility, LogSw

-2.68

Polar Surface Area

103.249

Acid Dissociation Constant (pKa)

4.48

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

8602-0036 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8602-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8602-0036?
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What is the minimum amount of 8602-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8602-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8602-0036
  • 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 8602-0036 available by request