V021-0596 Screening compound: 1-[4-(3,4-difluorophenoxy)-6-[4-(trifluoromethyl)benzoyl]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]-4-methylpiperazine

V021-0596 Screening compound: 1-[4-(3,4-difluorophenoxy)-6-[4-(trifluoromethyl)benzoyl]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]-4-methylpiperazine
V021-0596 Screening compound: 1-[4-(3,4-difluorophenoxy)-6-[4-(trifluoromethyl)benzoyl]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl]-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0596
1-[4-(3,4-difluorophenoxy)-6-[4-(trifluoromethyl)benzoyl]-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

V021-0596

Molecular Formula

C26H24F5N5O2 (C26 H24 F5 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)CCN1c1nc(CCN(C2)C(c3ccc(C(F)(F)F)cc3)=O)c2c(Oc(cc2)cc(F)c2F)n1

InChI

InChI=1S/C26H24F5N5O2/c1-34-10-12-35(13-11-34)25-32-22-8-9-36(24(37)16-2-4-17(5-3-16)26(29,30)31)15-19(22)23(33-25)38-18-6-7-20(27)21(28)14-18/h2-7,14H,8-13,15H2,1H3

InChI Key

NTCOJYFCXWLULS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19933952

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

533.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.841

Distribution Coefficient, logD

4.269

Water Solubility, LogSw

-4.72

Polar Surface Area

49.982

Acid Dissociation Constant (pKa)

20.15

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

V021-0596 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-0596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-0596?
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What is the minimum amount of V021-0596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0596
  • 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 V021-0596 available by request