V003-3149 Screening compound: (2E)-3-phenyl-1-[2-phenyl-4-(piperidin-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-6-yl]prop-2-en-1-one

V003-3149 Screening compound: (2E)-3-phenyl-1-[2-phenyl-4-(piperidin-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-6-yl]prop-2-en-1-one
V003-3149 Screening compound: (2E)-3-phenyl-1-[2-phenyl-4-(piperidin-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-6-yl]prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3149
(2E)-3-phenyl-1-[2-phenyl-4-(piperidin-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-6-yl]prop-2-en-1-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

V003-3149

Molecular Formula

C27H28N4O (C27 H28 N4 O)

Compound Name

(2E)-3-phenyl-1-[2-phenyl-4-(piperidin-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-6-yl]prop-2-en-1-one

IUPAC name

(2E)-3-phenyl-1-[2-phenyl-4-(piperidin-1-yl)-5H6H7H8H-pyrido[43-d]pyrimidin-6-yl]prop-2-en-1-one

SMILES

O=C(/C=C/c1ccccc1)N1Cc2c(N3CCCCC3)nc(-c3ccccc3)nc2CC1

InChI

InChI=1S/C27H28N4O/c32-25(15-14-21-10-4-1-5-11-21)31-19-16-24-23(20-31)27(30-17-8-3-9-18-30)29-26(28-24)22-12-6-2-7-13-22/h1-2,4-7,10-15H,3,8-9,16-20H2

InChI Key

XQWAOBFVDQVQHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19769006

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

424.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.833

Distribution Coefficient, logD

5.832

Water Solubility, LogSw

-5.82

Polar Surface Area

39.207

Acid Dissociation Constant (pKa)

20.22

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

V003-3149 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V003-3149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3149?
Check Price and Availability of V003-3149, 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 V003-3149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3149
  • 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 V003-3149 available by request