K832-3746 Screening compound: allyl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

K832-3746 Screening compound: allyl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate
K832-3746 Screening compound: allyl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-3746
allyl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

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

K832-3746

Molecular Formula

C21H18N4O4 (C21 H18 N4 O4)

Compound Name

allyl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

IUPAC name

prop-2-en-1-yl 11-methyl-13-(4-nitrophenyl)-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaene-12-carboxylate

SMILES

CC(Nc1nc(cccc2)c2n1C1c(cc2)ccc2[N+]([O-])=O)=C1C(OCC=C)=O

InChI

InChI=1S/C21H18N4O4/c1-3-12-29-20(26)18-13(2)22-21-23-16-6-4-5-7-17(16)24(21)19(18)14-8-10-15(11-9-14)25(27)28/h3-11,19H,1,12H2,2H3,(H,22,23)/t19-/m0/s1

InChI Key

KJUNSZPXAKEHHS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD09462362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.191

Distribution Coefficient, logD

4.184

Water Solubility, LogSw

-4.38

Polar Surface Area

78.463

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

K832-3746 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K832-3746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-3746?
Check Price and Availability of K832-3746, 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 K832-3746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-3746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-3746
  • 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 K832-3746 available by request