C172-0170 Screening compound: 3-{5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxopentyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

C172-0170 Screening compound: 3-{5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxopentyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
C172-0170 Screening compound: 3-{5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxopentyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C172-0170
3-{5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxopentyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

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

C172-0170

Molecular Formula

C22H26N4O4S (C22 H26 N4 O4 S)

Compound Name

3-{5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxopentyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

IUPAC name

3-{5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxopentyl}-1H2H3H4H-thieno[32-d]pyrimidine-24-dione

SMILES

COc(cc1)ccc1N(CC1)CCN1C(CCCCN(C(c(scc1)c1N1)=O)C1=O)=O

InChI

InChI=1S/C22H26N4O4S/c1-30-17-7-5-16(6-8-17)24-11-13-25(14-12-24)19(27)4-2-3-10-26-21(28)20-18(9-15-31-20)23-22(26)29/h5-9,15H,2-4,10-14H2,1H3,(H,23,29)

InChI Key

QOSMBLKSKMBPJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05718045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.623

Distribution Coefficient, logD

2.622

Water Solubility, LogSw

-3.09

Polar Surface Area

68.674

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C172-0170 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C172-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C172-0170?
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What is the minimum amount of C172-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C172-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C172-0170
  • 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 C172-0170 available by request