V029-0530 Screening compound: 4-[6-(2,6-DIFLUOROBENZOYL)-2-(PYRROLIDIN-1-YL)-5H,6H,7H,8H-PYRIDO[4,3-D]PYRIMIDIN-4-YL]MORPHOLINE

V029-0530 Screening compound: 4-[6-(2,6-DIFLUOROBENZOYL)-2-(PYRROLIDIN-1-YL)-5H,6H,7H,8H-PYRIDO[4,3-D]PYRIMIDIN-4-YL]MORPHOLINE
V029-0530 Screening compound: 4-[6-(2,6-DIFLUOROBENZOYL)-2-(PYRROLIDIN-1-YL)-5H,6H,7H,8H-PYRIDO[4,3-D]PYRIMIDIN-4-YL]MORPHOLINE alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0530
4-[6-(2,6-DIFLUOROBENZOYL)-2-(PYRROLIDIN-1-YL)-5H,6H,7H,8H-PYRIDO[4,3-D]PYRIMIDIN-4-YL]MORPHOLINE

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

V029-0530

Molecular Formula

C22H25F2N5O2 (C22 H25 F2 N5 O2)

Compound Name

4-[6-(2,6-DIFLUOROBENZOYL)-2-(PYRROLIDIN-1-YL)-5H,6H,7H,8H-PYRIDO[4,3-D]PYRIMIDIN-4-YL]MORPHOLINE

IUPAC name

4-[6-(26-difluorobenzoyl)-2-(pyrrolidin-1-yl)-5H6H7H8H-pyrido[43-d]pyrimidin-4-yl]morpholine

SMILES

O=C(c(c(F)ccc1)c1F)N1Cc2c(N3CCOCC3)nc(N3CCCC3)nc2CC1

InChI

InChI=1S/C22H25F2N5O2/c23-16-4-3-5-17(24)19(16)21(30)29-9-6-18-15(14-29)20(27-10-12-31-13-11-27)26-22(25-18)28-7-1-2-8-28/h3-5H,1-2,6-14H2

InChI Key

UOWRHUYNNWLTNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19933053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.149

Distribution Coefficient, logD

3.147

Water Solubility, LogSw

-3.17

Polar Surface Area

50.660

Acid Dissociation Constant (pKa)

19.56

Base Dissociation Constant (pKb)

11.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V029-0530 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V029-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0530?
Check Price and Availability of V029-0530, 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 V029-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0530
  • 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 V029-0530 available by request