V011-8644 Screening compound: 1-{4-[2-(sec-butyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}-2-(4-methoxyphenyl)-1-ethanone

V011-8644 Screening compound: 1-{4-[2-(sec-butyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}-2-(4-methoxyphenyl)-1-ethanone
V011-8644 Screening compound: 1-{4-[2-(sec-butyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}-2-(4-methoxyphenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-8644
1-{4-[2-(sec-butyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}-2-(4-methoxyphenyl)-1-ethanone

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

V011-8644

Molecular Formula

C28H36N4O2S (C28 H36 N4 O2 S)

Compound Name

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

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-(4-methoxyphenyl)ethan-1-one

SMILES

CCC(C)c1nc(N(CC2)CCN2C(Cc(cc2)ccc2OC)=O)c(c(CCC(C)C2)c2s2)c2n1

InChI

InChI=1S/C28H36N4O2S/c1-5-19(3)26-29-27(25-22-11-6-18(2)16-23(22)35-28(25)30-26)32-14-12-31(13-15-32)24(33)17-20-7-9-21(34-4)10-8-20/h7-10,18-19H,5-6,11-17H2,1-4H3

InChI Key

MOCOYUMCPBHATN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19978691

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

492.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.654

Distribution Coefficient, logD

6.236

Water Solubility, LogSw

-5.91

Polar Surface Area

46.693

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

7.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.60

References: we are preparing a list of scientific research reports with V011-8644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-8644?
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What is the minimum amount of V011-8644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-8644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-8644
  • 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 V011-8644 available by request