3078-1163 Screening compound: 1-[4-(diethylamino)anilino]-2-ethyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

3078-1163 Screening compound: 1-[4-(diethylamino)anilino]-2-ethyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
3078-1163 Screening compound: 1-[4-(diethylamino)anilino]-2-ethyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3078-1163
1-[4-(diethylamino)anilino]-2-ethyl-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

3078-1163

Molecular Formula

C25H27N5 (C25 H27 N5)

Compound Name

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

IUPAC name

13-{[4-(diethylamino)phenyl]amino}-12-ethyl-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

CCc(c(C)c1C#N)c(Nc(cc2)ccc2N(CC)CC)n2c1nc1c2cccc1

InChI

InChI=1S/C25H27N5/c1-5-20-17(4)21(16-26)25-28-22-10-8-9-11-23(22)30(25)24(20)27-18-12-14-19(15-13-18)29(6-2)7-3/h8-15,27H,5-7H2,1-4H3

InChI Key

VDAHEJORFUQFPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01066724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.383

Distribution Coefficient, logD

6.147

Water Solubility, LogSw

-5.90

Polar Surface Area

36.428

Acid Dissociation Constant (pKa)

18.13

Base Dissociation Constant (pKb)

9.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

3078-1163 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3078-1163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3078-1163?
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What is the minimum amount of 3078-1163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3078-1163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3078-1163
  • 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 3078-1163 available by request