1682-5154 Screening compound: 3-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid

1682-5154 Screening compound: 3-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
1682-5154 Screening compound: 3-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-5154
3-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic 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

1682-5154

Molecular Formula

C8H11NO3S2 (C8 H11 NO3 S2)

Compound Name

3-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid

IUPAC name

3-methyl-2-(4-oxo-2-sulfanylidene-13-thiazolidin-3-yl)butanoic acid

SMILES

CC(C)C(C(O)=O)N(C(CS1)=O)C1=S

InChI

InChI=1S/C8H11NO3S2/c1-4(2)6(7(11)12)9-5(10)3-14-8(9)13/h4,6H,3H2,1-2H3,(H,11,12)/t6-/m0/s1

InChI Key

CAFMKIQOSYUXLI-LURJTMIESA-N

MDL Number (MFCD)

MFCD00457542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.789

Distribution Coefficient, logD

-2.282

Water Solubility, LogSw

-1.20

Polar Surface Area

44.632

Acid Dissociation Constant (pKa)

4.33

Base Dissociation Constant (pKb)

-6.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

1682-5154 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1682-5154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-5154?
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What is the minimum amount of 1682-5154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-5154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-5154
  • 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 1682-5154 available by request