D724-0138 Screening compound: 1-isobutyl-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a][1,3]benzimidazol-5-yl cyanide

D724-0138 Screening compound: 1-isobutyl-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a][1,3]benzimidazol-5-yl cyanide
D724-0138 Screening compound: 1-isobutyl-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a][1,3]benzimidazol-5-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound D724-0138
1-isobutyl-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a][1,3]benzimidazol-5-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

D724-0138

Molecular Formula

C19H20N4 (C19 H20 N4)

Compound Name

1-isobutyl-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a][1,3]benzimidazol-5-yl cyanide

IUPAC name

7-methyl-3-(2-methylpropyl)-1310-triazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-2(6)79111315-hexaene-8-carbonitrile

SMILES

CC(C)CN(CC1)c(n2c3nc4c2cccc4)c1c(C)c3C#N

InChI

InChI=1S/C19H20N4/c1-12(2)11-22-9-8-14-13(3)15(10-20)18-21-16-6-4-5-7-17(16)23(18)19(14)22/h4-7,12H,8-9,11H2,1-3H3

InChI Key

XJJWOYYXJGBWFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05884960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.106

Distribution Coefficient, logD

4.106

Water Solubility, LogSw

-4.18

Polar Surface Area

31.528

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

D724-0138 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D724-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D724-0138?
Check Price and Availability of D724-0138, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D724-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D724-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D724-0138
  • 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 D724-0138 available by request