D668-0111 Screening compound: ethyl 1-[(2-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate

D668-0111 Screening compound: ethyl 1-[(2-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate
D668-0111 Screening compound: ethyl 1-[(2-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D668-0111
ethyl 1-[(2-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate

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

D668-0111

Molecular Formula

C12H17N3O6S (C12 H17 N3 O6 S)

Compound Name

ethyl 1-[(2-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[(2-hydroxy-6-oxo-16-dihydropyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1S(C(C(N1)=O)=CN=C1O)(=O)=O)=O

InChI

InChI=1S/C12H17N3O6S/c1-2-21-11(17)8-3-5-15(6-4-8)22(19,20)9-7-13-12(18)14-10(9)16/h7-8H,2-6H2,1H3,(H2,13,14,16,18)

InChI Key

LTKCCKTUGXAISH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.35

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.864

Distribution Coefficient, logD

-7.725

Water Solubility, LogSw

-1.78

Polar Surface Area

104.821

Acid Dissociation Constant (pKa)

0.54

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

D668-0111 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with D668-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D668-0111?
Check Price and Availability of D668-0111, 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 D668-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D668-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D668-0111
  • 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 D668-0111 available by request