V012-0911 Screening compound: [4-(2-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino](2-fluorophenyl)methanone

V012-0911 Screening compound: [4-(2-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino](2-fluorophenyl)methanone
V012-0911 Screening compound: [4-(2-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino](2-fluorophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0911
[4-(2-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino](2-fluorophenyl)methanone

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

V012-0911

Molecular Formula

C25H29FN4OS (C25 H29 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCCCc1nc(N(CC2)CCN2C(c(cccc2)c2F)=O)c(c(CCCC2)c2s2)c2n1

InChI

InChI=1S/C25H29FN4OS/c1-2-3-12-21-27-23(22-18-9-5-7-11-20(18)32-24(22)28-21)29-13-15-30(16-14-29)25(31)17-8-4-6-10-19(17)26/h4,6,8,10H,2-3,5,7,9,11-16H2,1H3

InChI Key

LIGQYOQHIKCPFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19845130

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

452.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.093

Distribution Coefficient, logD

5.481

Water Solubility, LogSw

-5.71

Polar Surface Area

40.667

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with V012-0911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0911?
Check Price and Availability of V012-0911, 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 V012-0911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0911
  • 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 V012-0911 available by request