V001-3133 Screening compound: 1-[4-(2-butyl-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]-3,3-dimethyl-1-butanone

V001-3133 Screening compound: 1-[4-(2-butyl-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]-3,3-dimethyl-1-butanone
V001-3133 Screening compound: 1-[4-(2-butyl-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]-3,3-dimethyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-3133
1-[4-(2-butyl-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]-3,3-dimethyl-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

V001-3133

Molecular Formula

C25H38N4OS (C25 H38 N4 OS)

Compound Name

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

IUPAC name

1-(4-{5-butyl-11-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl}piperazin-1-yl)-33-dimethylbutan-1-one

SMILES

CCCCc1nc(N(CC2)CCN2C(CC(C)(C)C)=O)c(c(CCC(C)C2)c2s2)c2n1

InChI

InChI=1S/C25H38N4OS/c1-6-7-8-20-26-23(22-18-10-9-17(2)15-19(18)31-24(22)27-20)29-13-11-28(12-14-29)21(30)16-25(3,4)5/h17H,6-16H2,1-5H3/t17-/m1/s1

InChI Key

CVXVQCDFGKSJIB-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD19845503

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

442.67

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

6.868

Distribution Coefficient, logD

6.419

Water Solubility, LogSw

-5.75

Polar Surface Area

40.411

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.00

References: we are preparing a list of scientific research reports with V001-3133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-3133?
Check Price and Availability of V001-3133, 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 V001-3133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-3133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-3133
  • 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 V001-3133 available by request