D724-0013 Screening compound: 1-(4-ethylpiperazino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

D724-0013 Screening compound: 1-(4-ethylpiperazino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
D724-0013 Screening compound: 1-(4-ethylpiperazino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound D724-0013
1-(4-ethylpiperazino)-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

D724-0013

Molecular Formula

C19H21N5 (C19 H21 N5)

Compound Name

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

IUPAC name

13-(4-ethylpiperazin-1-yl)-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

CCN(CC1)CCN1c(n1c2nc3c1cccc3)cc(C)c2C#N

InChI

InChI=1S/C19H21N5/c1-3-22-8-10-23(11-9-22)18-12-14(2)15(13-20)19-21-16-6-4-5-7-17(16)24(18)19/h4-7,12H,3,8-11H2,1-2H3

InChI Key

CBHQTTUKYXAQEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02360814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.601

Distribution Coefficient, logD

2.670

Water Solubility, LogSw

-3.72

Polar Surface Area

31.428

Acid Dissociation Constant (pKa)

25.49

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

D724-0013 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

BRD4 Targeted Library (4534 compounds)

CNS BBB Library (22607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with D724-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D724-0013?
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What is the minimum amount of D724-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D724-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D724-0013
  • 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 D724-0013 available by request