1288-0461 Screening compound: 2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetic acid

1288-0461 Screening compound: 2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetic acid
1288-0461 Screening compound: 2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1288-0461
2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}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

1288-0461

Molecular Formula

C10H10N2O2S2 (C10 H10 N2 O2 S2)

Compound Name

2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetic acid

IUPAC name

2-({56-dimethylthieno[23-d]pyrimidin-4-yl}sulfanyl)acetic acid

SMILES

Cc1c(C)sc2ncnc(SCC(O)=O)c12

InChI

InChI=1S/C10H10N2O2S2/c1-5-6(2)16-10-8(5)9(11-4-12-10)15-3-7(13)14/h4H,3H2,1-2H3,(H,13,14)

InChI Key

VSOXJMQZOPRPGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00449576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.060

Distribution Coefficient, logD

-1.557

Water Solubility, LogSw

-1.85

Polar Surface Area

49.668

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

1288-0461 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 1288-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1288-0461?
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What is the minimum amount of 1288-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1288-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1288-0461
  • 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 1288-0461 available by request