V004-5541 Screening compound: 2-{6-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-[2-(pyridin-2-yl)ethyl]acetamide

V004-5541 Screening compound: 2-{6-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-[2-(pyridin-2-yl)ethyl]acetamide
V004-5541 Screening compound: 2-{6-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-[2-(pyridin-2-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5541
2-{6-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-[2-(pyridin-2-yl)ethyl]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

V004-5541

Molecular Formula

C26H22Cl2N6O2S (C26 H22 Cl2 N6 O2 S)

Compound Name

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

IUPAC name

2-{6-[1-(34-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidin-3-yl}-N-[2-(pyridin-2-yl)ethyl]acetamide

SMILES

Cc1cc(C2=C(C)N=C3SC=C(CC(NCCc4ncccc4)=O)N3C2=O)nn1-c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C26H22Cl2N6O2S/c1-15-11-22(32-34(15)18-6-7-20(27)21(28)12-18)24-16(2)31-26-33(25(24)36)19(14-37-26)13-23(35)30-10-8-17-5-3-4-9-29-17/h3-7,9,11-12,14H,8,10,13H2,1-2H3,(H,30,35)

InChI Key

AFXNKKLGYVOBDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19856174

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

553.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.540

Distribution Coefficient, logD

3.535

Water Solubility, LogSw

-3.68

Polar Surface Area

72.509

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with V004-5541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5541?
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What is the minimum amount of V004-5541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5541
  • 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 V004-5541 available by request