8017-8796 Screening compound: 4-(2-furyl)-2-methyl-N~3~-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

8017-8796 Screening compound: 4-(2-furyl)-2-methyl-N~3~-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide
8017-8796 Screening compound: 4-(2-furyl)-2-methyl-N~3~-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8796
4-(2-furyl)-2-methyl-N~3~-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

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

8017-8796

Molecular Formula

C23H17F3N4O2 (C23 H17 F3 N4 O2)

Compound Name

4-(2-furyl)-2-methyl-N~3~-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

IUPAC name

13-(furan-2-yl)-11-methyl-N-[3-(trifluoromethyl)phenyl]-1810-triazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene-12-carboxamide

SMILES

CC(Nc1nc(cccc2)c2n1C1c2ccco2)=C1C(Nc1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C23H17F3N4O2/c1-13-19(21(31)28-15-7-4-6-14(12-15)23(24,25)26)20(18-10-5-11-32-18)30-17-9-3-2-8-16(17)29-22(30)27-13/h2-12,20H,1H3,(H,27,29)(H,28,31)/t20-/m0/s1

InChI Key

ARCRHHXTPANIHE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06193502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.175

Distribution Coefficient, logD

5.175

Water Solubility, LogSw

-5.10

Polar Surface Area

55.704

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

8017-8796 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Proteases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-8796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8796?
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What is the minimum amount of 8017-8796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8796
  • 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 8017-8796 available by request