V021-7588 Screening compound: 2-cyclohexyl-4-[4-(ethylsulfonyl)piperazino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

V021-7588 Screening compound: 2-cyclohexyl-4-[4-(ethylsulfonyl)piperazino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
V021-7588 Screening compound: 2-cyclohexyl-4-[4-(ethylsulfonyl)piperazino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-7588
2-cyclohexyl-4-[4-(ethylsulfonyl)piperazino]-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

V021-7588

Molecular Formula

C22H32N4O2S2 (C22 H32 N4 O2 S2)

Compound Name

2-cyclohexyl-4-[4-(ethylsulfonyl)piperazino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

IUPAC name

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

SMILES

CCS(N(CC1)CCN1c1nc(C2CCCCC2)nc2c1c(CCCC1)c1s2)(=O)=O

InChI

InChI=1S/C22H32N4O2S2/c1-2-30(27,28)26-14-12-25(13-15-26)21-19-17-10-6-7-11-18(17)29-22(19)24-20(23-21)16-8-4-3-5-9-16/h16H,2-15H2,1H3

InChI Key

HLNSEQWFGCZQOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19846399

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

448.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.433

Distribution Coefficient, logD

4.766

Water Solubility, LogSw

-5.24

Polar Surface Area

54.826

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.70

V021-7588 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V021-7588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-7588?
Check Price and Availability of V021-7588, 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 V021-7588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-7588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-7588
  • 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 V021-7588 available by request