V004-0544 Screening compound: 3-[1-(5-chloro-2-methylphenyl)-5-methyl-1H-pyrazol-3-yl]-9-[(3,4-difluorophenyl)methoxy]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

V004-0544 Screening compound: 3-[1-(5-chloro-2-methylphenyl)-5-methyl-1H-pyrazol-3-yl]-9-[(3,4-difluorophenyl)methoxy]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
V004-0544 Screening compound: 3-[1-(5-chloro-2-methylphenyl)-5-methyl-1H-pyrazol-3-yl]-9-[(3,4-difluorophenyl)methoxy]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0544
3-[1-(5-chloro-2-methylphenyl)-5-methyl-1H-pyrazol-3-yl]-9-[(3,4-difluorophenyl)methoxy]-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

V004-0544

Molecular Formula

C27H21ClF2N4O2 (C27 H21 ClF2 N4 O2)

Compound Name

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

IUPAC name

3-[1-(5-chloro-2-methylphenyl)-5-methyl-1H-pyrazol-3-yl]-9-[(34-difluorophenyl)methoxy]-2-methyl-4H-pyrido[12-a]pyrimidin-4-one

SMILES

Cc1cc(C2=C(C)N=C(C(OCc(cc3)cc(F)c3F)=CC=C3)N3C2=O)nn1-c1c(C)ccc(Cl)c1

InChI

InChI=1S/C27H21ClF2N4O2/c1-15-6-8-19(28)13-23(15)34-16(2)11-22(32-34)25-17(3)31-26-24(5-4-10-33(26)27(25)35)36-14-18-7-9-20(29)21(30)12-18/h4-13H,14H2,1-3H3

InChI Key

HUKKWBJGCGRWBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19855910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.483

Distribution Coefficient, logD

5.480

Water Solubility, LogSw

-5.88

Polar Surface Area

44.568

Acid Dissociation Constant (pKa)

27.08

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

V004-0544 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V004-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0544?
Check Price and Availability of V004-0544, 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 V004-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0544
  • 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 V004-0544 available by request