V010-1163 Screening compound: 4-{4-[(4-methoxyphenyl)sulfonyl]piperazino}-7-methyl-2-phenethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

V010-1163 Screening compound: 4-{4-[(4-methoxyphenyl)sulfonyl]piperazino}-7-methyl-2-phenethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
V010-1163 Screening compound: 4-{4-[(4-methoxyphenyl)sulfonyl]piperazino}-7-methyl-2-phenethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-1163
4-{4-[(4-methoxyphenyl)sulfonyl]piperazino}-7-methyl-2-phenethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

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

V010-1163

Molecular Formula

C30H34N4O3S2 (C30 H34 N4 O3 S2)

Compound Name

4-{4-[(4-methoxyphenyl)sulfonyl]piperazino}-7-methyl-2-phenethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

IUPAC name

3-[4-(4-methoxybenzenesulfonyl)piperazin-1-yl]-11-methyl-5-(2-phenylethyl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene

SMILES

CC(CC1)Cc2c1c(c(N(CC1)CCN1S(c(cc1)ccc1OC)(=O)=O)nc(CCc1ccccc1)n1)c1s2

InChI

InChI=1S/C30H34N4O3S2/c1-21-8-14-25-26(20-21)38-30-28(25)29(31-27(32-30)15-9-22-6-4-3-5-7-22)33-16-18-34(19-17-33)39(35,36)24-12-10-23(37-2)11-13-24/h3-7,10-13,21H,8-9,14-20H2,1-2H3/t21-/m1/s1

InChI Key

YTRCRBBLOAWQNG-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19843052

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

562.76

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.262

Distribution Coefficient, logD

6.994

Water Solubility, LogSw

-6.14

Polar Surface Area

63.002

Acid Dissociation Constant (pKa)

22.34

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V010-1163 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V010-1163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-1163?
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What is the minimum amount of V010-1163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-1163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-1163
  • 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 V010-1163 available by request