D103-1868 Screening compound: 7,8-dimethyl-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-chromene-2-carboxamide

D103-1868 Screening compound: 7,8-dimethyl-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-chromene-2-carboxamide
D103-1868 Screening compound: 7,8-dimethyl-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-1868
7,8-dimethyl-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-chromene-2-carboxamide

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

D103-1868

Molecular Formula

C15H13N3O3S2 (C15 H13 N3 O3 S2)

Compound Name

7,8-dimethyl-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4H-chromene-2-carboxamide

IUPAC name

78-dimethyl-N-[5-(methylsulfanyl)-134-thiadiazol-2-yl]-4-oxo-4H-chromene-2-carboxamide

SMILES

Cc(cc1)c(C)c(OC(C(Nc2nnc(SC)s2)=O)=C2)c1C2=O

InChI

InChI=1S/C15H13N3O3S2/c1-7-4-5-9-10(19)6-11(21-12(9)8(7)2)13(20)16-14-17-18-15(22-3)23-14/h4-6H,1-3H3,(H,16,17,20)

InChI Key

IZABAOVRVLUXSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06787894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.223

Distribution Coefficient, logD

4.189

Water Solubility, LogSw

-4.38

Polar Surface Area

67.738

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D103-1868 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D103-1868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-1868?
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What is the minimum amount of D103-1868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-1868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-1868
  • 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 D103-1868 available by request