D103-1823 Screening compound: methyl 2-(7,8-dimethyl-4-oxo-4H-chromene-2-amido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

D103-1823 Screening compound: methyl 2-(7,8-dimethyl-4-oxo-4H-chromene-2-amido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
D103-1823 Screening compound: methyl 2-(7,8-dimethyl-4-oxo-4H-chromene-2-amido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-1823
methyl 2-(7,8-dimethyl-4-oxo-4H-chromene-2-amido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

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

D103-1823

Molecular Formula

C21H19NO5S (C21 H19 NO5 S)

Compound Name

methyl 2-(7,8-dimethyl-4-oxo-4H-chromene-2-amido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

methyl 2-(78-dimethyl-4-oxo-4H-chromene-2-amido)-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

Cc(cc1)c(C)c(OC(C(Nc2c(C(OC)=O)c(CCC3)c3s2)=O)=C2)c1C2=O

InChI

InChI=1S/C21H19NO5S/c1-10-7-8-12-14(23)9-15(27-18(12)11(10)2)19(24)22-20-17(21(25)26-3)13-5-4-6-16(13)28-20/h7-9H,4-6H2,1-3H3,(H,22,24)

InChI Key

QPFFLAPZUPRHCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12920135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.490

Distribution Coefficient, logD

1.222

Water Solubility, LogSw

-4.58

Polar Surface Area

66.087

Acid Dissociation Constant (pKa)

4.13

Base Dissociation Constant (pKb)

-5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D103-1823 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D103-1823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-1823?
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What is the minimum amount of D103-1823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-1823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-1823
  • 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 D103-1823 available by request