4708-0270 Screening compound: 1-(1H-1,3-benzimidazol-1-yl)-3-methyl-2-pentylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4708-0270 Screening compound: 1-(1H-1,3-benzimidazol-1-yl)-3-methyl-2-pentylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4708-0270 Screening compound: 1-(1H-1,3-benzimidazol-1-yl)-3-methyl-2-pentylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4708-0270
1-(1H-1,3-benzimidazol-1-yl)-3-methyl-2-pentylpyrido[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

4708-0270

Molecular Formula

C25H23N5 (C25 H23 N5)

Compound Name

1-(1H-1,3-benzimidazol-1-yl)-3-methyl-2-pentylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

13-(1H-13-benzodiazol-1-yl)-11-methyl-12-pentyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

CCCCCc(c(C)c1C#N)c(-n2c(cccc3)c3nc2)n2c1nc1c2cccc1

InChI

InChI=1S/C25H23N5/c1-3-4-5-10-18-17(2)19(15-26)24-28-21-12-7-9-14-23(21)30(24)25(18)29-16-27-20-11-6-8-13-22(20)29/h6-9,11-14,16H,3-5,10H2,1-2H3

InChI Key

POVLIBGEDUPMIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05716157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.666

Distribution Coefficient, logD

6.647

Water Solubility, LogSw

-5.93

Polar Surface Area

34.557

Acid Dissociation Constant (pKa)

21.64

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

4708-0270 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4708-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4708-0270?
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What is the minimum amount of 4708-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4708-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4708-0270
  • 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 4708-0270 available by request