4708-0034 Screening compound: 3-methyl-1-(4-phenylpiperazino)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4708-0034 Screening compound: 3-methyl-1-(4-phenylpiperazino)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4708-0034 Screening compound: 3-methyl-1-(4-phenylpiperazino)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4708-0034
3-methyl-1-(4-phenylpiperazino)pyrido[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

4708-0034

Molecular Formula

C23H21N5 (C23 H21 N5)

Compound Name

3-methyl-1-(4-phenylpiperazino)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

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

SMILES

Cc(cc(n1c2nc3c1cccc3)N(CC1)CCN1c1ccccc1)c2C#N

InChI

InChI=1S/C23H21N5/c1-17-15-22(27-13-11-26(12-14-27)18-7-3-2-4-8-18)28-21-10-6-5-9-20(21)25-23(28)19(17)16-24/h2-10,15H,11-14H2,1H3

InChI Key

XXEYDWQRVNODFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02327659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.074

Distribution Coefficient, logD

5.074

Water Solubility, LogSw

-4.94

Polar Surface Area

31.151

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

4708-0034 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4708-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4708-0034?
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What is the minimum amount of 4708-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4708-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4708-0034
  • 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 4708-0034 available by request