V001-2895 Screening compound: 1-{4-[2-(sec-butyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}-2-methyl-1-propanone

V001-2895 Screening compound: 1-{4-[2-(sec-butyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}-2-methyl-1-propanone
V001-2895 Screening compound: 1-{4-[2-(sec-butyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}-2-methyl-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-2895
1-{4-[2-(sec-butyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}-2-methyl-1-propanone

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

V001-2895

Molecular Formula

C23H34N4OS (C23 H34 N4 OS)

Compound Name

1-{4-[2-(sec-butyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}-2-methyl-1-propanone

IUPAC name

1-{4-[5-(butan-2-yl)-11-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl]piperazin-1-yl}-2-methylpropan-1-one

SMILES

CCC(C)c1nc(N(CC2)CCN2C(C(C)C)=O)c(c(CCC(C)C2)c2s2)c2n1

InChI

InChI=1S/C23H34N4OS/c1-6-16(5)20-24-21(26-9-11-27(12-10-26)23(28)14(2)3)19-17-8-7-15(4)13-18(17)29-22(19)25-20/h14-16H,6-13H2,1-5H3

InChI Key

NOCRLNIKJSWLCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19845301

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

414.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.044

Distribution Coefficient, logD

5.720

Water Solubility, LogSw

-5.58

Polar Surface Area

39.948

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

69.57

V001-2895 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V001-2895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-2895?
Check Price and Availability of V001-2895, 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 V001-2895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-2895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-2895
  • 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 V001-2895 available by request