C172-0116 Screening compound: 3-{5-[4-(4-nitrophenyl)piperazin-1-yl]-5-oxopentyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

C172-0116 Screening compound: 3-{5-[4-(4-nitrophenyl)piperazin-1-yl]-5-oxopentyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
C172-0116 Screening compound: 3-{5-[4-(4-nitrophenyl)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 C172-0116
3-{5-[4-(4-nitrophenyl)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

C172-0116

Molecular Formula

C21H23N5O5S (C21 H23 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1C(CCCCN(C(c(scc1)c1N1)=O)C1=O)=O)=O

InChI

InChI=1S/C21H23N5O5S/c27-18(3-1-2-9-25-20(28)19-17(8-14-32-19)22-21(25)29)24-12-10-23(11-13-24)15-4-6-16(7-5-15)26(30)31/h4-8,14H,1-3,9-13H2,(H,22,29)

InChI Key

WUIDOEMFFHRNRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05718044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.566

Distribution Coefficient, logD

2.566

Water Solubility, LogSw

-2.92

Polar Surface Area

94.511

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with C172-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C172-0116?
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What is the minimum amount of C172-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C172-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C172-0116
  • 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 C172-0116 available by request