V021-0587 Screening compound: 1-[6-(2,4-difluorobenzoyl)-4-(3,4-difluorophenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]-4-methylpiperazine

V021-0587 Screening compound: 1-[6-(2,4-difluorobenzoyl)-4-(3,4-difluorophenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]-4-methylpiperazine
V021-0587 Screening compound: 1-[6-(2,4-difluorobenzoyl)-4-(3,4-difluorophenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0587
1-[6-(2,4-difluorobenzoyl)-4-(3,4-difluorophenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]-4-methylpiperazine

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

V021-0587

Molecular Formula

C25H23F4N5O2 (C25 H23 F4 N5 O2)

Compound Name

1-[6-(2,4-difluorobenzoyl)-4-(3,4-difluorophenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]-4-methylpiperazine

IUPAC name

1-[6-(24-difluorobenzoyl)-4-(34-difluorophenoxy)-5H6H7H8H-pyrido[43-d]pyrimidin-2-yl]-4-methylpiperazine

SMILES

CN(CC1)CCN1c1nc(CCN(C2)C(c(ccc(F)c3)c3F)=O)c2c(Oc(cc2)cc(F)c2F)n1

InChI

InChI=1S/C25H23F4N5O2/c1-32-8-10-33(11-9-32)25-30-22-6-7-34(24(35)17-4-2-15(26)12-20(17)28)14-18(22)23(31-25)36-16-3-5-19(27)21(29)13-16/h2-5,12-13H,6-11,14H2,1H3

InChI Key

LFTVTFBANPPQCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19934408

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

501.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.425

Distribution Coefficient, logD

3.853

Water Solubility, LogSw

-4.39

Polar Surface Area

49.982

Acid Dissociation Constant (pKa)

19.92

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

V021-0587 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V021-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-0587?
Check Price and Availability of V021-0587, 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 V021-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0587
  • 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 V021-0587 available by request