K832-4527 Screening compound: 4-(4-ethoxyphenyl)-2-(4-isopropylphenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole

K832-4527 Screening compound: 4-(4-ethoxyphenyl)-2-(4-isopropylphenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole
K832-4527 Screening compound: 4-(4-ethoxyphenyl)-2-(4-isopropylphenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-4527
4-(4-ethoxyphenyl)-2-(4-isopropylphenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole

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

K832-4527

Molecular Formula

C27H27N3O (C27 H27 N3 O)

Compound Name

4-(4-ethoxyphenyl)-2-(4-isopropylphenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole

IUPAC name

13-(4-ethoxyphenyl)-11-[4-(propan-2-yl)phenyl]-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaene

SMILES

CCOc1ccc(C(C=C(c2ccc(C(C)C)cc2)N2)n3c2nc2c3cccc2)cc1

InChI

InChI=1S/C27H27N3O/c1-4-31-22-15-13-21(14-16-22)26-17-24(20-11-9-19(10-12-20)18(2)3)29-27-28-23-7-5-6-8-25(23)30(26)27/h5-18,26H,4H2,1-3H3,(H,28,29)/t26-/m0/s1

InChI Key

LTGPJZZKNJRPCC-SANMLTNESA-N

MDL Number (MFCD)

MFCD15110315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.242

Distribution Coefficient, logD

7.242

Water Solubility, LogSw

-5.98

Polar Surface Area

31.768

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

K832-4527 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K832-4527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-4527?
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What is the minimum amount of K832-4527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-4527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-4527
  • 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 K832-4527 available by request