8013-2588 Screening compound: 3-chloro-N~1~-[1-methyl-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]benzamide

8013-2588 Screening compound: 3-chloro-N~1~-[1-methyl-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]benzamide
8013-2588 Screening compound: 3-chloro-N~1~-[1-methyl-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2588
3-chloro-N~1~-[1-methyl-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]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

8013-2588

Molecular Formula

C12H9ClF3N3O3 (C12 H9 ClF3 N3 O3)

Compound Name

3-chloro-N~1~-[1-methyl-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]benzamide

IUPAC name

3-chloro-N-[1-methyl-25-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

SMILES

CN(C(C(C(F)(F)F)(NC(c1cccc(Cl)c1)=O)N1)=O)C1=O

InChI

InChI=1S/C12H9ClF3N3O3/c1-19-9(21)11(12(14,15)16,18-10(19)22)17-8(20)6-3-2-4-7(13)5-6/h2-5H,1H3,(H,17,20)(H,18,22)/t11-/m1/s1

InChI Key

OLXOOUOQDXPQSD-LLVKDONJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.769

Distribution Coefficient, logD

-1.086

Water Solubility, LogSw

-2.81

Polar Surface Area

65.835

Acid Dissociation Constant (pKa)

4.55

Base Dissociation Constant (pKb)

-6.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8013-2588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2588?
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What is the minimum amount of 8013-2588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2588
  • 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 8013-2588 available by request