8013-5787 Screening compound: N-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methylbenzamide

8013-5787 Screening compound: N-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methylbenzamide
8013-5787 Screening compound: N-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5787
N-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methylbenzamide

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

8013-5787

Molecular Formula

C18H13ClF3N3O3 (C18 H13 ClF3 N3 O3)

Compound Name

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

IUPAC name

N-[1-(4-chlorophenyl)-25-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methylbenzamide

SMILES

Cc(cccc1)c1C(NC(C(F)(F)F)(C(N1c(cc2)ccc2Cl)=O)NC1=O)=O

InChI

InChI=1S/C18H13ClF3N3O3/c1-10-4-2-3-5-13(10)14(26)23-17(18(20,21)22)15(27)25(16(28)24-17)12-8-6-11(19)7-9-12/h2-9H,1H3,(H,23,26)(H,24,28)/t17-/m1/s1

InChI Key

SJWAVHZIHVPBTJ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03766861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.385

Distribution Coefficient, logD

0.155

Water Solubility, LogSw

-3.99

Polar Surface Area

65.186

Acid Dissociation Constant (pKa)

3.69

Base Dissociation Constant (pKb)

-5.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8013-5787 in Drug Discovery

Included in Screening Libraries

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

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 8013-5787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5787?
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What is the minimum amount of 8013-5787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5787
  • 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 8013-5787 available by request