K832-4580 Screening compound: 4-[5-chloro-2-(difluoromethoxy)phenyl]-2-(4-iodophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole

K832-4580 Screening compound: 4-[5-chloro-2-(difluoromethoxy)phenyl]-2-(4-iodophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole
K832-4580 Screening compound: 4-[5-chloro-2-(difluoromethoxy)phenyl]-2-(4-iodophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-4580
4-[5-chloro-2-(difluoromethoxy)phenyl]-2-(4-iodophenyl)-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

K832-4580

Molecular Formula

C23H15ClF2IN3O (C23 H15 ClF2 IN3 O)

Compound Name

4-[5-chloro-2-(difluoromethoxy)phenyl]-2-(4-iodophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole

IUPAC name

13-[5-chloro-2-(difluoromethoxy)phenyl]-11-(4-iodophenyl)-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaene

SMILES

FC(Oc(cc1)c(C(C=C(c(cc2)ccc2I)N2)n3c2nc2c3cccc2)cc1Cl)F

InChI

InChI=1S/C23H15ClF2IN3O/c24-14-7-10-21(31-22(25)26)16(11-14)20-12-18(13-5-8-15(27)9-6-13)29-23-28-17-3-1-2-4-19(17)30(20)23/h1-12,20,22H,(H,28,29)/t20-/m1/s1

InChI Key

GEBIFSVZSCJXPF-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD15110354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.75

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.539

Distribution Coefficient, logD

7.539

Water Solubility, LogSw

-6.87

Polar Surface Area

31.336

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

K832-4580 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 K832-4580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-4580?
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What is the minimum amount of K832-4580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-4580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-4580
  • 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 K832-4580 available by request