D724-0037 Screening compound: 2-ethyl-1-(isobutylamino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

D724-0037 Screening compound: 2-ethyl-1-(isobutylamino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
D724-0037 Screening compound: 2-ethyl-1-(isobutylamino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound D724-0037
2-ethyl-1-(isobutylamino)-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

D724-0037

Molecular Formula

C19H22N4 (C19 H22 N4)

Compound Name

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

IUPAC name

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

SMILES

CCc(c(C)c1C#N)c(NCC(C)C)n2c1nc1c2cccc1

InChI

InChI=1S/C19H22N4/c1-5-14-13(4)15(10-20)19-22-16-8-6-7-9-17(16)23(19)18(14)21-11-12(2)3/h6-9,12,21H,5,11H2,1-4H3

InChI Key

HVFOPCXBMXAEPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03551984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.41

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

5.032

Distribution Coefficient, logD

5.031

Water Solubility, LogSw

-4.74

Polar Surface Area

35.286

Acid Dissociation Constant (pKa)

19.54

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

D724-0037 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D724-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D724-0037?
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What is the minimum amount of D724-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D724-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D724-0037
  • 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 D724-0037 available by request