7269-0538 Screening compound: 1-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a][1,3]benzimidazol-5-yl cyanide

7269-0538 Screening compound: 1-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a][1,3]benzimidazol-5-yl cyanide
7269-0538 Screening compound: 1-(4-methoxyphenyl)-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 7269-0538
1-(4-methoxyphenyl)-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

7269-0538

Molecular Formula

C22H18N4O (C22 H18 N4 O)

Compound Name

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

IUPAC name

3-(4-methoxyphenyl)-7-methyl-1310-triazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-2(6)79111315-hexaene-8-carbonitrile

SMILES

Cc(c(CCN1c(cc2)ccc2OC)c1n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C22H18N4O/c1-14-17-11-12-25(15-7-9-16(27-2)10-8-15)22(17)26-20-6-4-3-5-19(20)24-21(26)18(14)13-23/h3-10H,11-12H2,1-2H3

InChI Key

ALHSMCPHJTZHGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05683536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

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

4.440

Distribution Coefficient, logD

4.440

Water Solubility, LogSw

-4.35

Polar Surface Area

38.354

Acid Dissociation Constant (pKa)

26.48

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

7269-0538 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7269-0538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7269-0538?
Check Price and Availability of 7269-0538, 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 7269-0538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7269-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7269-0538
  • 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 7269-0538 available by request