D668-0126 Screening compound: ethyl 4-[(2-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)sulfonyl]piperazine-1-carboxylate

D668-0126 Screening compound: ethyl 4-[(2-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)sulfonyl]piperazine-1-carboxylate
D668-0126 Screening compound: ethyl 4-[(2-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)sulfonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D668-0126
ethyl 4-[(2-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)sulfonyl]piperazine-1-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

D668-0126

Molecular Formula

C11H16N4O6S (C11 H16 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C11H16N4O6S/c1-2-21-11(18)14-3-5-15(6-4-14)22(19,20)8-7-12-10(17)13-9(8)16/h7H,2-6H2,1H3,(H2,12,13,16,17)

InChI Key

PRTSHGZOJXJPQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.34

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.297

Distribution Coefficient, logD

-8.157

Water Solubility, LogSw

-1.89

Polar Surface Area

106.847

Acid Dissociation Constant (pKa)

0.54

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

D668-0126 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D668-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D668-0126?
Check Price and Availability of D668-0126, 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 D668-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D668-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D668-0126
  • 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 D668-0126 available by request