K832-4187 Screening compound: 2-[2-(3-bromophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-4-yl]phenyl difluoromethyl ether

K832-4187 Screening compound: 2-[2-(3-bromophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-4-yl]phenyl difluoromethyl ether
K832-4187 Screening compound: 2-[2-(3-bromophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-4-yl]phenyl difluoromethyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-4187
2-[2-(3-bromophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-4-yl]phenyl difluoromethyl ether

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

K832-4187

Molecular Formula

C23H16BrF2N3O (C23 H16 BrF2 N3 O)

Compound Name

2-[2-(3-bromophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-4-yl]phenyl difluoromethyl ether

IUPAC name

11-(3-bromophenyl)-13-[2-(difluoromethoxy)phenyl]-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaene

SMILES

FC(Oc1c(C(C=C(c2cccc(Br)c2)N2)n3c2nc2c3cccc2)cccc1)F

InChI

InChI=1S/C23H16BrF2N3O/c24-15-7-5-6-14(12-15)18-13-20(16-8-1-4-11-21(16)30-22(25)26)29-19-10-3-2-9-17(19)27-23(29)28-18/h1-13,20,22H,(H,27,28)/t20-/m1/s1

InChI Key

ROJJDLZHINABHQ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD15110186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.3

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

6.492

Distribution Coefficient, logD

6.491

Water Solubility, LogSw

-6.34

Polar Surface Area

31.336

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

K832-4187 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 K832-4187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-4187?
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What is the minimum amount of K832-4187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-4187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-4187
  • 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 K832-4187 available by request