8013-5782 Screening compound: 4-chloro-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

8013-5782 Screening compound: 4-chloro-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
8013-5782 Screening compound: 4-chloro-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5782
4-chloro-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]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

8013-5782

Molecular Formula

C15H15ClF3N3O3 (C15 H15 ClF3 N3 O3)

Compound Name

4-chloro-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

IUPAC name

4-chloro-N-[1-(2-methylpropyl)-25-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

SMILES

CC(C)CN(C(C(C(F)(F)F)(NC(c(cc1)ccc1Cl)=O)N1)=O)C1=O

InChI

InChI=1S/C15H15ClF3N3O3/c1-8(2)7-22-12(24)14(15(17,18)19,21-13(22)25)20-11(23)9-3-5-10(16)6-4-9/h3-6,8H,7H2,1-2H3,(H,20,23)(H,21,25)/t14-/m1/s1

InChI Key

ZNRUBMBCSHKXIQ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03766856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.199

Distribution Coefficient, logD

0.790

Water Solubility, LogSw

-3.79

Polar Surface Area

66.069

Acid Dissociation Constant (pKa)

4.52

Base Dissociation Constant (pKb)

-5.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

8013-5782 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-5782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5782?
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What is the minimum amount of 8013-5782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5782
  • 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 8013-5782 available by request