Y021-1968 Screening compound: 4-hydroxy-6-(3-hydroxyphenyl)-2-sulfanyl-5-pyrimidinecarbonitrile

Y021-1968 Screening compound: 4-hydroxy-6-(3-hydroxyphenyl)-2-sulfanyl-5-pyrimidinecarbonitrile
Y021-1968 Screening compound: 4-hydroxy-6-(3-hydroxyphenyl)-2-sulfanyl-5-pyrimidinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1968
4-hydroxy-6-(3-hydroxyphenyl)-2-sulfanyl-5-pyrimidinecarbonitrile

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

Y021-1968

Molecular Formula

C11H7N3O2S (C11 H7 N3 O2 S)

Compound Name

4-hydroxy-6-(3-hydroxyphenyl)-2-sulfanyl-5-pyrimidinecarbonitrile

IUPAC name

4-hydroxy-6-(3-hydroxyphenyl)-2-sulfanylpyrimidine-5-carbonitrile

SMILES

N#Cc(c(-c1cc(O)ccc1)nc(S)n1)c1O

InChI

InChI=1S/C11H7N3O2S/c12-5-8-9(13-11(17)14-10(8)16)6-2-1-3-7(15)4-6/h1-4,15H,(H2,13,14,16,17)

InChI Key

KOUXCBLZYXZFEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07157492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.545

Distribution Coefficient, logD

-3.450

Water Solubility, LogSw

-0.73

Polar Surface Area

68.541

Acid Dissociation Constant (pKa)

2.40

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y021-1968 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y021-1968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1968?
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What is the minimum amount of Y021-1968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1968
  • 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 Y021-1968 available by request