8017-2689 Screening compound: 1-(3-bromoanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

8017-2689 Screening compound: 1-(3-bromoanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
8017-2689 Screening compound: 1-(3-bromoanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2689
1-(3-bromoanilino)-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

8017-2689

Molecular Formula

C19H13BrN4 (C19 H13 BrN4)

Compound Name

1-(3-bromoanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

13-[(3-bromophenyl)amino]-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(cc(Nc1cccc(Br)c1)n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C19H13BrN4/c1-12-9-18(22-14-6-4-5-13(20)10-14)24-17-8-3-2-7-16(17)23-19(24)15(12)11-21/h2-10,22H,1H3

InChI Key

AOEGDVKKIXCSCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01445971

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

377.24

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.638

Distribution Coefficient, logD

5.638

Water Solubility, LogSw

-5.76

Polar Surface Area

34.614

Acid Dissociation Constant (pKa)

16.22

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.26

8017-2689 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8017-2689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2689?
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What is the minimum amount of 8017-2689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2689
  • 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 8017-2689 available by request