D668-0127 Screening compound: 2-hydroxy-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-3,4-dihydropyrimidin-4-one

D668-0127 Screening compound: 2-hydroxy-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-3,4-dihydropyrimidin-4-one
D668-0127 Screening compound: 2-hydroxy-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D668-0127
2-hydroxy-5-(1,2,3,4-tetrahydroisoquinoline-2-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

D668-0127

Molecular Formula

C13H13N3O4S (C13 H13 N3 O4 S)

Compound Name

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

IUPAC name

2-hydroxy-5-(1234-tetrahydroisoquinoline-2-sulfonyl)-34-dihydropyrimidin-4-one

SMILES

OC(NC1=O)=NC=C1S(N(CC1)Cc2c1cccc2)(=O)=O

InChI

InChI=1S/C13H13N3O4S/c17-12-11(7-14-13(18)15-12)21(19,20)16-6-5-9-3-1-2-4-10(9)8-16/h1-4,7H,5-6,8H2,(H2,14,15,17,18)

InChI Key

WSGAWEAWTPDQDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18484634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.33

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

0.118

Distribution Coefficient, logD

-6.742

Water Solubility, LogSw

-2.27

Polar Surface Area

83.729

Acid Dissociation Constant (pKa)

0.54

Base Dissociation Constant (pKb)

-6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

D668-0127 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with D668-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D668-0127?
Check Price and Availability of D668-0127, 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 D668-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D668-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D668-0127
  • 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 D668-0127 available by request