8602-0031 Screening compound: 4-amino-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzene-1-sulfonamide

8602-0031 Screening compound: 4-amino-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzene-1-sulfonamide
8602-0031 Screening compound: 4-amino-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8602-0031
4-amino-N-[1-(2-methylpropyl)-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

8602-0031

Molecular Formula

C14H17F3N4O4S (C14 H17 F3 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(C(C(C(F)(F)F)(NS(c(cc1)ccc1N)(=O)=O)N1)=O)C1=O

InChI

InChI=1S/C14H17F3N4O4S/c1-8(2)7-21-11(22)13(14(15,16)17,19-12(21)23)20-26(24,25)10-5-3-9(18)4-6-10/h3-6,8,20H,7,18H2,1-2H3,(H,19,23)/t13-/m0/s1

InChI Key

LWBOKXHGIIEHGQ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD06002687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.351

Distribution Coefficient, logD

-0.959

Water Solubility, LogSw

-2.56

Polar Surface Area

104.433

Acid Dissociation Constant (pKa)

5.09

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

8602-0031 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8602-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8602-0031?
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What is the minimum amount of 8602-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8602-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8602-0031
  • 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 8602-0031 available by request