4708-0126 Screening compound: 2-ethyl-1-[4-(9H-fluoren-9-yl)piperazino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4708-0126 Screening compound: 2-ethyl-1-[4-(9H-fluoren-9-yl)piperazino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4708-0126 Screening compound: 2-ethyl-1-[4-(9H-fluoren-9-yl)piperazino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4708-0126
2-ethyl-1-[4-(9H-fluoren-9-yl)piperazino]-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

4708-0126

Molecular Formula

C32H29N5 (C32 H29 N5)

Compound Name

2-ethyl-1-[4-(9H-fluoren-9-yl)piperazino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

12-ethyl-13-[4-(9H-fluoren-9-yl)piperazin-1-yl]-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

CCc(c(C)c(c1nc(cccc2)c2n11)C#N)c1N(CC1)CCN1C1c(cccc2)c2-c2c1cccc2

InChI

InChI=1S/C32H29N5/c1-3-22-21(2)27(20-33)31-34-28-14-8-9-15-29(28)37(31)32(22)36-18-16-35(17-19-36)30-25-12-6-4-10-23(25)24-11-5-7-13-26(24)30/h4-15,30H,3,16-19H2,1-2H3

InChI Key

USRUOLCXJKYGAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01829404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.393

Distribution Coefficient, logD

5.759

Water Solubility, LogSw

-6.10

Polar Surface Area

29.213

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4708-0126 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4708-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4708-0126?
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What is the minimum amount of 4708-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4708-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4708-0126
  • 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 4708-0126 available by request