V009-4522 Screening compound: 1-{4-[2-(sec-butyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}-2-methoxy-1-ethanone

V009-4522 Screening compound: 1-{4-[2-(sec-butyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}-2-methoxy-1-ethanone
V009-4522 Screening compound: 1-{4-[2-(sec-butyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}-2-methoxy-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-4522
1-{4-[2-(sec-butyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}-2-methoxy-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

V009-4522

Molecular Formula

C22H32N4O2S (C22 H32 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-methoxy-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-methoxyethan-1-one

SMILES

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

InChI

InChI=1S/C22H32N4O2S/c1-5-15(3)20-23-21(26-10-8-25(9-11-26)18(27)13-28-4)19-16-7-6-14(2)12-17(16)29-22(19)24-20/h14-15H,5-13H2,1-4H3

InChI Key

XTJCISABGMIZSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19845324

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

416.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.558

Distribution Coefficient, logD

4.234

Water Solubility, LogSw

-4.52

Polar Surface Area

47.845

Acid Dissociation Constant (pKa)

22.40

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.20

References: we are preparing a list of scientific research reports with V009-4522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-4522?
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What is the minimum amount of V009-4522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-4522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-4522
  • 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 V009-4522 available by request