8019-1786 Screening compound: 4-tert-butyl-N-{1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}benzamide

8019-1786 Screening compound: 4-tert-butyl-N-{1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}benzamide
8019-1786 Screening compound: 4-tert-butyl-N-{1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1786
4-tert-butyl-N-{1-[(2-chlorophenyl)methyl]-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

8019-1786

Molecular Formula

C22H21ClF3N3O3 (C22 H21 ClF3 N3 O3)

Compound Name

4-tert-butyl-N-{1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}benzamide

IUPAC name

4-tert-butyl-N-{1-[(2-chlorophenyl)methyl]-25-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(NC(C(F)(F)F)(C(N1Cc(cccc2)c2Cl)=O)NC1=O)=O

InChI

InChI=1S/C22H21ClF3N3O3/c1-20(2,3)15-10-8-13(9-11-15)17(30)27-21(22(24,25)26)18(31)29(19(32)28-21)12-14-6-4-5-7-16(14)23/h4-11H,12H2,1-3H3,(H,27,30)(H,28,32)/t21-/m1/s1

InChI Key

SPLHCRWZWXSPKK-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD08743501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.288

Distribution Coefficient, logD

3.278

Water Solubility, LogSw

-5.79

Polar Surface Area

65.797

Acid Dissociation Constant (pKa)

5.39

Base Dissociation Constant (pKb)

-9.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

8019-1786 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 8019-1786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1786?
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What is the minimum amount of 8019-1786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1786
  • 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 8019-1786 available by request