ZB62-0671 Screening compound: (4aS,8aS)-2-(4-fluorophenyl)-6-(2-phenylacetyl)-4a,5,6,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4(1H)-one

ZB62-0671 Screening compound: (4aS,8aS)-2-(4-fluorophenyl)-6-(2-phenylacetyl)-4a,5,6,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4(1H)-one
ZB62-0671 Screening compound: (4aS,8aS)-2-(4-fluorophenyl)-6-(2-phenylacetyl)-4a,5,6,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound ZB62-0671
(4aS,8aS)-2-(4-fluorophenyl)-6-(2-phenylacetyl)-4a,5,6,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-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

ZB62-0671

Molecular Formula

C21H20FN3O2 (C21 H20 FN3 O2)

Compound Name

(4aS,8aS)-2-(4-fluorophenyl)-6-(2-phenylacetyl)-4a,5,6,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4(1H)-one

IUPAC name

n/a

SMILES

O=C(Cc1ccccc1)N(CC[C@@H]1NC(c(cc2)ccc2F)=N2)C[C@@H]1C2=O

InChI

InChI=1S/C21H20FN3O2/c22-16-8-6-15(7-9-16)20-23-18-10-11-25(13-17(18)21(27)24-20)19(26)12-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2,(H,23,24,27)/t17-,18-/m1/s1

InChI Key

WPUOHYHDTFFIJL-QZTJIDSGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.184

Distribution Coefficient, logD

2.184

Water Solubility, LogSw

-2.67

Polar Surface Area

51.555

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

ZB62-0671 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with ZB62-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound ZB62-0671?
Check Price and Availability of ZB62-0671, 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 ZB62-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for ZB62-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for ZB62-0671
  • 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 ZB62-0671 available by request