K832-3459 Screening compound: 4-(4-bromophenyl)-N~3~,N~3~,2-trimethyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

K832-3459 Screening compound: 4-(4-bromophenyl)-N~3~,N~3~,2-trimethyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide
K832-3459 Screening compound: 4-(4-bromophenyl)-N~3~,N~3~,2-trimethyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-3459
4-(4-bromophenyl)-N~3~,N~3~,2-trimethyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

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

K832-3459

Molecular Formula

C20H19BrN4O (C20 H19 BrN4 O)

Compound Name

4-(4-bromophenyl)-N~3~,N~3~,2-trimethyl-1,4-dihydropyrimido[1,2-a][1,3]benzimidazole-3-carboxamide

IUPAC name

13-(4-bromophenyl)-NN11-trimethyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaene-12-carboxamide

SMILES

CC(Nc1nc(cccc2)c2n1C1c(cc2)ccc2Br)=C1C(N(C)C)=O

InChI

InChI=1S/C20H19BrN4O/c1-12-17(19(26)24(2)3)18(13-8-10-14(21)11-9-13)25-16-7-5-4-6-15(16)23-20(25)22-12/h4-11,18H,1-3H3,(H,22,23)/t18-/m0/s1

InChI Key

OJXOJPLZVWLFSM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15110116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.707

Distribution Coefficient, logD

3.705

Water Solubility, LogSw

-3.95

Polar Surface Area

40.035

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

K832-3459 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K832-3459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-3459?
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What is the minimum amount of K832-3459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-3459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-3459
  • 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 K832-3459 available by request