Y042-3126 Screening compound: 2-[({5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}methyl)sulfanyl]acetic acid

Y042-3126 Screening compound: 2-[({5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}methyl)sulfanyl]acetic acid
Y042-3126 Screening compound: 2-[({5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}methyl)sulfanyl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3126
2-[({5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}methyl)sulfanyl]acetic acid

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

Y042-3126

Molecular Formula

C11H12N2O3S2 (C11 H12 N2 O3 S2)

Compound Name

2-[({5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}methyl)sulfanyl]acetic acid

IUPAC name

2-[({56-dimethyl-4-oxo-3H4H-thieno[23-d]pyrimidin-2-yl}methyl)sulfanyl]acetic acid

SMILES

Cc1c(C)sc(N=C(CSCC(O)=O)N2)c1C2=O

InChI

InChI=1S/C11H12N2O3S2/c1-5-6(2)18-11-9(5)10(16)12-7(13-11)3-17-4-8(14)15/h3-4H2,1-2H3,(H,14,15)(H,12,13,16)

InChI Key

OMVRDEHHKXIWIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13176455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.493

Distribution Coefficient, logD

-1.987

Water Solubility, LogSw

-2.07

Polar Surface Area

63.458

Acid Dissociation Constant (pKa)

3.92

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

Y042-3126 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Y042-3126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3126?
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What is the minimum amount of Y042-3126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3126
  • 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 Y042-3126 available by request