C063-0029 Screening compound: 1-[(4-hydroxybutyl)amino]-3-propylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

C063-0029 Screening compound: 1-[(4-hydroxybutyl)amino]-3-propylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
C063-0029 Screening compound: 1-[(4-hydroxybutyl)amino]-3-propylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound C063-0029
1-[(4-hydroxybutyl)amino]-3-propylpyrido[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

C063-0029

Molecular Formula

C19H22N4O (C19 H22 N4 O)

Compound Name

1-[(4-hydroxybutyl)amino]-3-propylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

13-[(4-hydroxybutyl)amino]-11-propyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

CCCc(cc(NCCCCO)n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C19H22N4O/c1-2-7-14-12-18(21-10-5-6-11-24)23-17-9-4-3-8-16(17)22-19(23)15(14)13-20/h3-4,8-9,12,21,24H,2,5-7,10-11H2,1H3

InChI Key

BIXTYPYXQPLIQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03691810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.577

Distribution Coefficient, logD

3.577

Water Solubility, LogSw

-3.73

Polar Surface Area

52.705

Acid Dissociation Constant (pKa)

15.58

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

C063-0029 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C063-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C063-0029?
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What is the minimum amount of C063-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C063-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C063-0029
  • 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 C063-0029 available by request