1304-0038 Screening compound: 3-({5-[(2-carboxyethyl)sulfanyl]-2-sulfanylidene-2H-1,3-dithiol-4-yl}sulfanyl)propanoic acid

1304-0038 Screening compound: 3-({5-[(2-carboxyethyl)sulfanyl]-2-sulfanylidene-2H-1,3-dithiol-4-yl}sulfanyl)propanoic acid
1304-0038 Screening compound: 3-({5-[(2-carboxyethyl)sulfanyl]-2-sulfanylidene-2H-1,3-dithiol-4-yl}sulfanyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1304-0038
3-({5-[(2-carboxyethyl)sulfanyl]-2-sulfanylidene-2H-1,3-dithiol-4-yl}sulfanyl)propanoic 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

1304-0038

Molecular Formula

C9H10O4S5 (C9 H10 O4 S5)

Compound Name

3-({5-[(2-carboxyethyl)sulfanyl]-2-sulfanylidene-2H-1,3-dithiol-4-yl}sulfanyl)propanoic acid

IUPAC name

3-({5-[(2-carboxyethyl)sulfanyl]-2-sulfanylidene-2H-13-dithiol-4-yl}sulfanyl)propanoic acid

SMILES

OC(CCSC(S1)=C(SCCC(O)=O)SC1=S)=O

InChI

InChI=1S/C9H10O4S5/c10-5(11)1-3-15-7-8(18-9(14)17-7)16-4-2-6(12)13/h1-4H2,(H,10,11)(H,12,13)

InChI Key

DTSMMAWIQUPVJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.280

Distribution Coefficient, logD

-0.415

Water Solubility, LogSw

-1.82

Polar Surface Area

57.564

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

1304-0038 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1304-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1304-0038?
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What is the minimum amount of 1304-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1304-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1304-0038
  • 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 1304-0038 available by request