8016-4428 Screening compound: 1-chloro-7,8-difluoro-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

8016-4428 Screening compound: 1-chloro-7,8-difluoro-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
8016-4428 Screening compound: 1-chloro-7,8-difluoro-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4428
1-chloro-7,8-difluoro-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

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

8016-4428

Molecular Formula

C13H6ClF2N3 (C13 H6 ClF2 N3)

Compound Name

1-chloro-7,8-difluoro-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

13-chloro-45-difluoro-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(cc(n1c2nc(cc3F)c1cc3F)Cl)c2C#N

InChI

InChI=1S/C13H6ClF2N3/c1-6-2-12(14)19-11-4-9(16)8(15)3-10(11)18-13(19)7(6)5-17/h2-4H,1H3

InChI Key

ZRMURZLAKFYTGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.66

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.703

Distribution Coefficient, logD

3.703

Water Solubility, LogSw

-4.72

Polar Surface Area

25.713

Acid Dissociation Constant (pKa)

28.99

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

8016-4428 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Kinases Annotated Library (2415 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8016-4428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4428?
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What is the minimum amount of 8016-4428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4428
  • 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 8016-4428 available by request