8013-3195 Screening compound: N~4~-[1-(2-furylmethyl)-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]isonicotinamide

8013-3195 Screening compound: N~4~-[1-(2-furylmethyl)-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]isonicotinamide
8013-3195 Screening compound: N~4~-[1-(2-furylmethyl)-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]isonicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3195
N~4~-[1-(2-furylmethyl)-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]isonicotinamide

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

8013-3195

Molecular Formula

C15H11F3N4O4 (C15 H11 F3 N4 O4)

Compound Name

N~4~-[1-(2-furylmethyl)-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]isonicotinamide

IUPAC name

N-{1-[(furan-2-yl)methyl]-25-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}pyridine-4-carboxamide

SMILES

O=C(c1ccncc1)NC(C(F)(F)F)(C(N1Cc2ccco2)=O)NC1=O

InChI

InChI=1S/C15H11F3N4O4/c16-15(17,18)14(20-11(23)9-3-5-19-6-4-9)12(24)22(13(25)21-14)8-10-2-1-7-26-10/h1-7H,8H2,(H,20,23)(H,21,25)/t14-/m1/s1

InChI Key

KARBJVOMJQCTIZ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03766025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.014

Distribution Coefficient, logD

-1.309

Water Solubility, LogSw

-1.45

Polar Surface Area

82.974

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8013-3195 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 8013-3195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3195?
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What is the minimum amount of 8013-3195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3195
  • 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 8013-3195 available by request