D724-0107 Screening compound: 2-allyl-1-(cyclopentylamino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

D724-0107 Screening compound: 2-allyl-1-(cyclopentylamino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
D724-0107 Screening compound: 2-allyl-1-(cyclopentylamino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound D724-0107
2-allyl-1-(cyclopentylamino)-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

D724-0107

Molecular Formula

C21H22N4 (C21 H22 N4)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(CC=C)c(NC1CCCC1)n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C21H22N4/c1-3-8-16-14(2)17(13-22)21-24-18-11-6-7-12-19(18)25(21)20(16)23-15-9-4-5-10-15/h3,6-7,11-12,15,23H,1,4-5,8-10H2,2H3

InChI Key

QSZYBKPFUJHWJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03668633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.43

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.242

Distribution Coefficient, logD

5.242

Water Solubility, LogSw

-5.28

Polar Surface Area

35.106

Acid Dissociation Constant (pKa)

19.68

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D724-0107 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

BRD4 Targeted Library (4534 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with D724-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D724-0107?
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What is the minimum amount of D724-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D724-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D724-0107
  • 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 D724-0107 available by request