8014-1654 Screening compound: 4-chloro-N~1~-[2,5-dioxo-1-phenethyl-4-(trifluoromethyl)-4-imidazolidinyl]-1-benzenesulfonamide

8014-1654 Screening compound: 4-chloro-N~1~-[2,5-dioxo-1-phenethyl-4-(trifluoromethyl)-4-imidazolidinyl]-1-benzenesulfonamide
8014-1654 Screening compound: 4-chloro-N~1~-[2,5-dioxo-1-phenethyl-4-(trifluoromethyl)-4-imidazolidinyl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1654
4-chloro-N~1~-[2,5-dioxo-1-phenethyl-4-(trifluoromethyl)-4-imidazolidinyl]-1-benzenesulfonamide

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

8014-1654

Molecular Formula

C18H15ClF3N3O4S (C18 H15 ClF3 N3 O4 S)

Compound Name

4-chloro-N~1~-[2,5-dioxo-1-phenethyl-4-(trifluoromethyl)-4-imidazolidinyl]-1-benzenesulfonamide

IUPAC name

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

SMILES

O=C(C(C(F)(F)F)(NS(c(cc1)ccc1Cl)(=O)=O)N1)N(CCc2ccccc2)C1=O

InChI

InChI=1S/C18H15ClF3N3O4S/c19-13-6-8-14(9-7-13)30(28,29)24-17(18(20,21)22)15(26)25(16(27)23-17)11-10-12-4-2-1-3-5-12/h1-9,24H,10-11H2,(H,23,27)/t17-/m0/s1

InChI Key

OCCPPQMHZSUDSR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03767864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.85

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.498

Distribution Coefficient, logD

1.358

Water Solubility, LogSw

-3.95

Polar Surface Area

83.334

Acid Dissociation Constant (pKa)

5.26

Base Dissociation Constant (pKb)

-8.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

8014-1654 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-1654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1654?
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What is the minimum amount of 8014-1654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1654
  • 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 8014-1654 available by request