V004-5542 Screening compound: N-(1-benzylpiperidin-4-yl)-2-{6-[1-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide

V004-5542 Screening compound: N-(1-benzylpiperidin-4-yl)-2-{6-[1-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide
V004-5542 Screening compound: N-(1-benzylpiperidin-4-yl)-2-{6-[1-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5542
N-(1-benzylpiperidin-4-yl)-2-{6-[1-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide

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

V004-5542

Molecular Formula

C32H34N6O3S (C32 H34 N6 O3 S)

Compound Name

N-(1-benzylpiperidin-4-yl)-2-{6-[1-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-2-{6-[1-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidin-3-yl}acetamide

SMILES

Cc1cc(C2=C(C)N=C3SC=C(CC(NC4CCN(Cc5ccccc5)CC4)=O)N3C2=O)nn1-c(cccc1)c1OC

InChI

InChI=1S/C32H34N6O3S/c1-21-17-26(35-38(21)27-11-7-8-12-28(27)41-3)30-22(2)33-32-37(31(30)40)25(20-42-32)18-29(39)34-24-13-15-36(16-14-24)19-23-9-5-4-6-10-23/h4-12,17,20,24H,13-16,18-19H2,1-3H3,(H,34,39)

InChI Key

QBAYJRJCUANOCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19856521

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

582.73

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.337

Distribution Coefficient, logD

1.779

Water Solubility, LogSw

-3.65

Polar Surface Area

73.720

Acid Dissociation Constant (pKa)

16.72

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

V004-5542 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V004-5542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5542?
Check Price and Availability of V004-5542, 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 V004-5542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5542
  • 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 V004-5542 available by request