4708-0038 Screening compound: 1-[4-(4-ethoxybenzyl)piperazino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4708-0038 Screening compound: 1-[4-(4-ethoxybenzyl)piperazino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4708-0038 Screening compound: 1-[4-(4-ethoxybenzyl)piperazino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4708-0038
1-[4-(4-ethoxybenzyl)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

4708-0038

Molecular Formula

C26H27N5O (C26 H27 N5 O)

Compound Name

1-[4-(4-ethoxybenzyl)piperazino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

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

SMILES

CCOc1ccc(CN(CC2)CCN2c(n2c3nc4c2cccc4)cc(C)c3C#N)cc1

InChI

InChI=1S/C26H27N5O/c1-3-32-21-10-8-20(9-11-21)18-29-12-14-30(15-13-29)25-16-19(2)22(17-27)26-28-23-6-4-5-7-24(23)31(25)26/h4-11,16H,3,12-15,18H2,1-2H3

InChI Key

DIAHFOLURJDFRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03483470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.124

Distribution Coefficient, logD

5.010

Water Solubility, LogSw

-5.15

Polar Surface Area

38.555

Acid Dissociation Constant (pKa)

25.19

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 4708-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4708-0038?
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What is the minimum amount of 4708-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4708-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4708-0038
  • 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 4708-0038 available by request