K832-4536 Screening compound: 4-[5-bromo-2-(difluoromethoxy)phenyl]-2-(4-isopropylphenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole

K832-4536 Screening compound: 4-[5-bromo-2-(difluoromethoxy)phenyl]-2-(4-isopropylphenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole
K832-4536 Screening compound: 4-[5-bromo-2-(difluoromethoxy)phenyl]-2-(4-isopropylphenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-4536
4-[5-bromo-2-(difluoromethoxy)phenyl]-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

K832-4536

Molecular Formula

C26H22BrF2N3O (C26 H22 BrF2 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1C(N1)=CC(c(cc(cc2)Br)c2OC(F)F)n2c1nc1c2cccc1

InChI

InChI=1S/C26H22BrF2N3O/c1-15(2)16-7-9-17(10-8-16)21-14-23(19-13-18(27)11-12-24(19)33-25(28)29)32-22-6-4-3-5-20(22)30-26(32)31-21/h3-15,23,25H,1-2H3,(H,30,31)/t23-/m0/s1

InChI Key

BNPUEBZVHSHRPC-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15110322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.38

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

7.794

Distribution Coefficient, logD

7.794

Water Solubility, LogSw

-5.96

Polar Surface Area

31.336

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

K832-4536 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K832-4536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-4536?
Check Price and Availability of K832-4536, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K832-4536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-4536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-4536
  • 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 K832-4536 available by request