V030-5801 Screening compound: N-(3-chlorophenyl)-4-(2-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxamide

V030-5801 Screening compound: N-(3-chlorophenyl)-4-(2-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxamide
V030-5801 Screening compound: N-(3-chlorophenyl)-4-(2-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5801
N-(3-chlorophenyl)-4-(2-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-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

V030-5801

Molecular Formula

C26H27ClFN5O2 (C26 H27 ClFN5 O2)

Compound Name

N-(3-chlorophenyl)-4-(2-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxamide

IUPAC name

N-(3-chlorophenyl)-4-(2-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-5H6H7H8H-pyrido[43-d]pyrimidine-6-carboxamide

SMILES

CC(CC1)CCN1c1nc(Oc(cccc2)c2F)c(CN(CC2)C(Nc3cccc(Cl)c3)=O)c2n1

InChI

InChI=1S/C26H27ClFN5O2/c1-17-9-12-32(13-10-17)25-30-22-11-14-33(26(34)29-19-6-4-5-18(27)15-19)16-20(22)24(31-25)35-23-8-3-2-7-21(23)28/h2-8,15,17H,9-14,16H2,1H3,(H,29,34)

InChI Key

XFSKWIMGQKZVBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19933526

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.364

Distribution Coefficient, logD

6.364

Water Solubility, LogSw

-6.22

Polar Surface Area

55.413

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

V030-5801 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V030-5801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5801?
Check Price and Availability of V030-5801, 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 V030-5801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5801
  • 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 V030-5801 available by request