Y021-0866 Screening compound: 4-phenyl-3,4-dihydropyrimido[1,2-a][1,3]benzimidazol-2(1H)-one

Y021-0866 Screening compound: 4-phenyl-3,4-dihydropyrimido[1,2-a][1,3]benzimidazol-2(1H)-one
Y021-0866 Screening compound: 4-phenyl-3,4-dihydropyrimido[1,2-a][1,3]benzimidazol-2(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0866
4-phenyl-3,4-dihydropyrimido[1,2-a][1,3]benzimidazol-2(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

Y021-0866

Molecular Formula

C16H13N3O (C16 H13 N3 O)

Compound Name

4-phenyl-3,4-dihydropyrimido[1,2-a][1,3]benzimidazol-2(1H)-one

IUPAC name

13-phenyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-11-one

SMILES

O=C(C1)Nc2nc(cccc3)c3n2C1c1ccccc1

InChI

InChI=1S/C16H13N3O/c20-15-10-14(11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)17-16(19)18-15/h1-9,14H,10H2,(H,17,18,20)/t14-/m1/s1

InChI Key

LVGOOYNXKOWFLW-CQSZACIVSA-N

MDL Number (MFCD)

MFCD02934071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.849

Distribution Coefficient, logD

2.849

Water Solubility, LogSw

-3.20

Polar Surface Area

38.296

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

Y021-0866 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

BRD4 Targeted Library (4534 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y021-0866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0866?
Check Price and Availability of Y021-0866, 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 Y021-0866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0866
  • 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 Y021-0866 available by request