V001-2884 Screening compound: 1-{4-[2-(sec-butyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}-3-chloro-1-propanone

V001-2884 Screening compound: 1-{4-[2-(sec-butyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}-3-chloro-1-propanone
V001-2884 Screening compound: 1-{4-[2-(sec-butyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}-3-chloro-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-2884
1-{4-[2-(sec-butyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}-3-chloro-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

V001-2884

Molecular Formula

C22H31ClN4OS (C22 H31 ClN4 OS)

Compound Name

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

SMILES

CCC(C)c1nc(sc2c3CCC(C)C2)c3c(N(CC2)CCN2C(CCCl)=O)n1

InChI

InChI=1S/C22H31ClN4OS/c1-4-15(3)20-24-21(27-11-9-26(10-12-27)18(28)7-8-23)19-16-6-5-14(2)13-17(16)29-22(19)25-20/h14-15H,4-13H2,1-3H3

InChI Key

YPNDOAIXAOVHJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19845336

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

435.03

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

5.584

Distribution Coefficient, logD

5.165

Water Solubility, LogSw

-5.52

Polar Surface Area

39.421

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

7.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.20

References: we are preparing a list of scientific research reports with V001-2884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-2884?
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What is the minimum amount of V001-2884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-2884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-2884
  • 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 V001-2884 available by request