C172-0189 Screening compound: 3-{4-[4-(4-acetylphenyl)piperazino]-4-oxobutyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

C172-0189 Screening compound: 3-{4-[4-(4-acetylphenyl)piperazino]-4-oxobutyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
C172-0189 Screening compound: 3-{4-[4-(4-acetylphenyl)piperazino]-4-oxobutyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C172-0189
3-{4-[4-(4-acetylphenyl)piperazino]-4-oxobutyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-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

C172-0189

Molecular Formula

C22H24N4O4S (C22 H24 N4 O4 S)

Compound Name

3-{4-[4-(4-acetylphenyl)piperazino]-4-oxobutyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

n/a

SMILES

CC(c(cc1)ccc1N(CC1)CCN1C(CCCN(C(c(scc1)c1N1)=O)C1=O)=O)=O

InChI

InChI=1S/C22H24N4O4S/c1-15(27)16-4-6-17(7-5-16)24-10-12-25(13-11-24)19(28)3-2-9-26-21(29)20-18(8-14-31-20)23-22(26)30/h4-8,14H,2-3,9-13H2,1H3,(H,23,30)

InChI Key

NPFBZEJEBFCZMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.668

Distribution Coefficient, logD

1.668

Water Solubility, LogSw

-2.43

Polar Surface Area

74.957

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C172-0189 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 C172-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C172-0189?
Check Price and Availability of C172-0189, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C172-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C172-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C172-0189
  • 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 C172-0189 available by request