8017-1296 Screening compound: 4-fluoro-N~1~-[2-(2-furylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]benzamide

8017-1296 Screening compound: 4-fluoro-N~1~-[2-(2-furylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]benzamide
8017-1296 Screening compound: 4-fluoro-N~1~-[2-(2-furylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1296
4-fluoro-N~1~-[2-(2-furylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-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

8017-1296

Molecular Formula

C22H19FN4O2 (C22 H19 FN4 O2)

Compound Name

4-fluoro-N~1~-[2-(2-furylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]benzamide

IUPAC name

4-fluoro-N-{11-[(furan-2-yl)methyl]-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-5-yl}benzamide

SMILES

O=C(c(cc1)ccc1F)Nc(cc1)cc2c1n(CCN(Cc1ccco1)C1)c1n2

InChI

InChI=1S/C22H19FN4O2/c23-16-5-3-15(4-6-16)22(28)24-17-7-8-20-19(12-17)25-21-14-26(9-10-27(20)21)13-18-2-1-11-29-18/h1-8,11-12H,9-10,13-14H2,(H,24,28)

InChI Key

ILOPYXPOBZPIEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.490

Distribution Coefficient, logD

3.482

Water Solubility, LogSw

-3.67

Polar Surface Area

45.754

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8017-1296 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-1296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1296?
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What is the minimum amount of 8017-1296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1296
  • 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 8017-1296 available by request