C172-0096 Screening compound: 6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide

C172-0096 Screening compound: 6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide
C172-0096 Screening compound: 6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C172-0096
6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide

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

C172-0096

Molecular Formula

C20H24N4O5S2 (C20 H24 N4 O5 S2)

Compound Name

6-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide

IUPAC name

6-{24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide

SMILES

NS(c1ccc(CCNC(CCCCCN(C(c(scc2)c2N2)=O)C2=O)=O)cc1)(=O)=O

InChI

InChI=1S/C20H24N4O5S2/c21-31(28,29)15-7-5-14(6-8-15)9-11-22-17(25)4-2-1-3-12-24-19(26)18-16(10-13-30-18)23-20(24)27/h5-8,10,13H,1-4,9,11-12H2,(H,22,25)(H,23,27)(H2,21,28,29)

InChI Key

QCIHAWVKOKDUNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.809

Distribution Coefficient, logD

0.809

Water Solubility, LogSw

-2.19

Polar Surface Area

116.393

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C172-0096 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C172-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C172-0096?
Check Price and Availability of C172-0096, 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 C172-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C172-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C172-0096
  • 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 C172-0096 available by request