C173-0347 Screening compound: 2-[3-oxo-3-(4-phenylpiperazino)propyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

C173-0347 Screening compound: 2-[3-oxo-3-(4-phenylpiperazino)propyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
C173-0347 Screening compound: 2-[3-oxo-3-(4-phenylpiperazino)propyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C173-0347
2-[3-oxo-3-(4-phenylpiperazino)propyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

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

C173-0347

Molecular Formula

C23H26N4O2S (C23 H26 N4 O2 S)

Compound Name

2-[3-oxo-3-(4-phenylpiperazino)propyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

O=C(CCC(N1)=Nc(sc2c3CCCC2)c3C1=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C23H26N4O2S/c28-20(27-14-12-26(13-15-27)16-6-2-1-3-7-16)11-10-19-24-22(29)21-17-8-4-5-9-18(17)30-23(21)25-19/h1-3,6-7H,4-5,8-15H2,(H,24,25,29)

InChI Key

KEJGHOOGYLYELI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.134

Distribution Coefficient, logD

3.133

Water Solubility, LogSw

-3.54

Polar Surface Area

54.376

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

C173-0347 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C173-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C173-0347?
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What is the minimum amount of C173-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C173-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C173-0347
  • 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 C173-0347 available by request