D718-0756 Screening compound: 1-[2-(4-bromophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a][1,3]benzimidazol-4(1H)-one

D718-0756 Screening compound: 1-[2-(4-bromophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a][1,3]benzimidazol-4(1H)-one
D718-0756 Screening compound: 1-[2-(4-bromophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a][1,3]benzimidazol-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0756
1-[2-(4-bromophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a][1,3]benzimidazol-4(1H)-one

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

D718-0756

Molecular Formula

C19H14BrN3O2 (C19 H14 BrN3 O2)

Compound Name

1-[2-(4-bromophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a][1,3]benzimidazol-4(1H)-one

IUPAC name

10-[2-(4-bromophenyl)-2-oxoethyl]-11-methyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaen-13-one

SMILES

CC(N(CC(c(cc1)ccc1Br)=O)c1nc(cccc2)c2n11)=CC1=O

InChI

InChI=1S/C19H14BrN3O2/c1-12-10-18(25)23-16-5-3-2-4-15(16)21-19(23)22(12)11-17(24)13-6-8-14(20)9-7-13/h2-10H,11H2,1H3

InChI Key

HWPTXPHEOSWKRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09438496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.702

Distribution Coefficient, logD

3.702

Water Solubility, LogSw

-4.07

Polar Surface Area

38.849

Acid Dissociation Constant (pKa)

16.87

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D718-0756 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D718-0756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0756?
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What is the minimum amount of D718-0756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0756
  • 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 D718-0756 available by request