D668-0113 Screening compound: 5-(azepane-1-sulfonyl)-2-hydroxy-3,4-dihydropyrimidin-4-one

D668-0113 Screening compound: 5-(azepane-1-sulfonyl)-2-hydroxy-3,4-dihydropyrimidin-4-one
D668-0113 Screening compound: 5-(azepane-1-sulfonyl)-2-hydroxy-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D668-0113
5-(azepane-1-sulfonyl)-2-hydroxy-3,4-dihydropyrimidin-4-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

D668-0113

Molecular Formula

C10H15N3O4S (C10 H15 N3 O4 S)

Compound Name

5-(azepane-1-sulfonyl)-2-hydroxy-3,4-dihydropyrimidin-4-one

IUPAC name

5-(azepane-1-sulfonyl)-2-hydroxy-34-dihydropyrimidin-4-one

SMILES

OC(NC1=O)=NC=C1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C10H15N3O4S/c14-9-8(7-11-10(15)12-9)18(16,17)13-5-3-1-2-4-6-13/h7H,1-6H2,(H2,11,12,14,15)

InChI Key

YPSUIFLYPDAGNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18488420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.425

Distribution Coefficient, logD

-7.286

Water Solubility, LogSw

-1.88

Polar Surface Area

84.398

Acid Dissociation Constant (pKa)

0.54

Base Dissociation Constant (pKb)

-5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

D668-0113 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D668-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D668-0113?
Check Price and Availability of D668-0113, 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 D668-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D668-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D668-0113
  • 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 D668-0113 available by request