V017-9552 Screening compound: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-[1-(5-fluoro-2-methylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

V017-9552 Screening compound: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-[1-(5-fluoro-2-methylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
V017-9552 Screening compound: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-[1-(5-fluoro-2-methylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-9552
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-[1-(5-fluoro-2-methylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-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

V017-9552

Molecular Formula

C31H31FN6O2S (C31 H31 FN6 O2 S)

Compound Name

3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-[1-(5-fluoro-2-methylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

IUPAC name

3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-[1-(5-fluoro-2-methylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5H-[13]thiazolo[32-a]pyrimidin-5-one

SMILES

Cc1cc(C2=C(C)N=C3SC=C(CC(N4CCN(Cc5ccccc5)CC4)=O)N3C2=O)nn1-c1c(C)ccc(F)c1

InChI

InChI=1S/C31H31FN6O2S/c1-20-9-10-24(32)16-27(20)38-21(2)15-26(34-38)29-22(3)33-31-37(30(29)40)25(19-41-31)17-28(39)36-13-11-35(12-14-36)18-23-7-5-4-6-8-23/h4-10,15-16,19H,11-14,17-18H2,1-3H3

InChI Key

UIVGBWPNRDNSEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19858134

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

570.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.928

Distribution Coefficient, logD

3.898

Water Solubility, LogSw

-3.92

Polar Surface Area

58.285

Acid Dissociation Constant (pKa)

18.61

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

V017-9552 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V017-9552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-9552?
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What is the minimum amount of V017-9552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-9552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-9552
  • 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 V017-9552 available by request