8013-3191 Screening compound: N~2~-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]-2-furamide

8013-3191 Screening compound: N~2~-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]-2-furamide
8013-3191 Screening compound: N~2~-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3191
N~2~-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]-2-furamide

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

8013-3191

Molecular Formula

C15H9F4N3O4 (C15 H9 F4 N3 O4)

Compound Name

N~2~-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]-2-furamide

IUPAC name

N-[1-(4-fluorophenyl)-25-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide

SMILES

O=C(c1ccco1)NC(C(F)(F)F)(C(N1c(cc2)ccc2F)=O)NC1=O

InChI

InChI=1S/C15H9F4N3O4/c16-8-3-5-9(6-4-8)22-12(24)14(15(17,18)19,21-13(22)25)20-11(23)10-2-1-7-26-10/h1-7H,(H,20,23)(H,21,25)/t14-/m1/s1

InChI Key

NKOZEKUMZIYZAH-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03766021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.873

Distribution Coefficient, logD

-1.100

Water Solubility, LogSw

-2.29

Polar Surface Area

73.764

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-5.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.33

8013-3191 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 8013-3191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3191?
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What is the minimum amount of 8013-3191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3191
  • 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 8013-3191 available by request