V002-4139 Screening compound: 1-[4-(2-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]-1-butanone

V002-4139 Screening compound: 1-[4-(2-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]-1-butanone
V002-4139 Screening compound: 1-[4-(2-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4139
1-[4-(2-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]-1-butanone

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

V002-4139

Molecular Formula

C22H32N4OS (C22 H32 N4 OS)

Compound Name

1-[4-(2-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]-1-butanone

IUPAC name

1-(4-{5-butyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl}piperazin-1-yl)butan-1-one

SMILES

CCCCc1nc(N(CC2)CCN2C(CCC)=O)c(c(CCCC2)c2s2)c2n1

InChI

InChI=1S/C22H32N4OS/c1-3-5-11-18-23-21(26-14-12-25(13-15-26)19(27)8-4-2)20-16-9-6-7-10-17(16)28-22(20)24-18/h3-15H2,1-2H3

InChI Key

JSKCJFOBZWGZQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19845100

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

400.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.669

Distribution Coefficient, logD

5.176

Water Solubility, LogSw

-5.38

Polar Surface Area

40.411

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.18

References: we are preparing a list of scientific research reports with V002-4139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4139?
Check Price and Availability of V002-4139, 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 V002-4139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4139
  • 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 V002-4139 available by request