D668-0115 Screening compound: 2-hydroxy-5-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydropyrimidin-4-one

D668-0115 Screening compound: 2-hydroxy-5-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydropyrimidin-4-one
D668-0115 Screening compound: 2-hydroxy-5-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D668-0115
2-hydroxy-5-[(4-methylpiperazin-1-yl)sulfonyl]-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

D668-0115

Molecular Formula

C9H14N4O4S (C9 H14 N4 O4 S)

Compound Name

2-hydroxy-5-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydropyrimidin-4-one

IUPAC name

2-hydroxy-5-[(4-methylpiperazin-1-yl)sulfonyl]-34-dihydropyrimidin-4-one

SMILES

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

InChI

InChI=1S/C9H14N4O4S/c1-12-2-4-13(5-3-12)18(16,17)7-6-10-9(15)11-8(7)14/h6H,2-5H2,1H3,(H2,10,11,14,15)

InChI Key

HNTVWVDLMPSHRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18488638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.3

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-2.016

Distribution Coefficient, logD

-8.877

Water Solubility, LogSw

-1.75

Polar Surface Area

87.544

Acid Dissociation Constant (pKa)

0.54

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

D668-0115 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Regenerative Medicine Focused Library (23016 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D668-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D668-0115?
Check Price and Availability of D668-0115, 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 D668-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D668-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D668-0115
  • 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 D668-0115 available by request