K832-2439 Screening compound: 2-methoxy-3-[2-(3-nitrophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-4-yl]phenyl methyl ether

K832-2439 Screening compound: 2-methoxy-3-[2-(3-nitrophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-4-yl]phenyl methyl ether
K832-2439 Screening compound: 2-methoxy-3-[2-(3-nitrophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-4-yl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-2439
2-methoxy-3-[2-(3-nitrophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-4-yl]phenyl methyl 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

K832-2439

Molecular Formula

C24H20N4O4 (C24 H20 N4 O4)

Compound Name

2-methoxy-3-[2-(3-nitrophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-4-yl]phenyl methyl ether

IUPAC name

13-(23-dimethoxyphenyl)-11-(3-nitrophenyl)-1810-triazatricyclo[7.4.0.0^{27}]trideca-246811-pentaene

SMILES

COc1cccc(C(C=C(c2cccc([N+]([O-])=O)c2)N2)n3c2nc2c3cccc2)c1OC

InChI

InChI=1S/C24H20N4O4/c1-31-22-12-6-9-17(23(22)32-2)21-14-19(15-7-5-8-16(13-15)28(29)30)26-24-25-18-10-3-4-11-20(18)27(21)24/h3-14,21H,1-2H3,(H,25,26)/t21-/m1/s1

InChI Key

OETDZZCROVTZRN-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD15110029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.284

Distribution Coefficient, logD

5.284

Water Solubility, LogSw

-5.43

Polar Surface Area

73.373

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

K832-2439 in Drug Discovery

Included in Screening Libraries

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

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 K832-2439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-2439?
Check Price and Availability of K832-2439, 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 K832-2439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-2439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-2439
  • 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 K832-2439 available by request