V010-9031 Screening compound: 9-[2-(4-chlorophenyl)-2-oxoethoxy]-3-[1-(2,5-difluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

V010-9031 Screening compound: 9-[2-(4-chlorophenyl)-2-oxoethoxy]-3-[1-(2,5-difluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
V010-9031 Screening compound: 9-[2-(4-chlorophenyl)-2-oxoethoxy]-3-[1-(2,5-difluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9031
9-[2-(4-chlorophenyl)-2-oxoethoxy]-3-[1-(2,5-difluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-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

V010-9031

Molecular Formula

C27H19ClF2N4O3 (C27 H19 ClF2 N4 O3)

Compound Name

9-[2-(4-chlorophenyl)-2-oxoethoxy]-3-[1-(2,5-difluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

IUPAC name

9-[2-(4-chlorophenyl)-2-oxoethoxy]-3-[1-(25-difluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4H-pyrido[12-a]pyrimidin-4-one

SMILES

Cc1cc(C2=C(C)N=C(C(OCC(c(cc3)ccc3Cl)=O)=CC=C3)N3C2=O)nn1-c(cc(cc1)F)c1F

InChI

InChI=1S/C27H19ClF2N4O3/c1-15-12-21(32-34(15)22-13-19(29)9-10-20(22)30)25-16(2)31-26-24(4-3-11-33(26)27(25)36)37-14-23(35)17-5-7-18(28)8-6-17/h3-13H,14H2,1-2H3

InChI Key

YFZAXKSVVHHNNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19858051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.317

Distribution Coefficient, logD

4.317

Water Solubility, LogSw

-4.61

Polar Surface Area

57.815

Acid Dissociation Constant (pKa)

24.41

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

V010-9031 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antibacterial Compounds Library (13827 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V010-9031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9031?
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What is the minimum amount of V010-9031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9031
  • 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 V010-9031 available by request