C593-1329 Screening compound: methyl 2-({8-methyl-4-oxo-4H-thieno[3,2-c]chromen-2-yl}formamido)-4-(methylsulfanyl)butanoate

C593-1329 Screening compound: methyl 2-({8-methyl-4-oxo-4H-thieno[3,2-c]chromen-2-yl}formamido)-4-(methylsulfanyl)butanoate
C593-1329 Screening compound: methyl 2-({8-methyl-4-oxo-4H-thieno[3,2-c]chromen-2-yl}formamido)-4-(methylsulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-1329
methyl 2-({8-methyl-4-oxo-4H-thieno[3,2-c]chromen-2-yl}formamido)-4-(methylsulfanyl)butanoate

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

C593-1329

Molecular Formula

C19H19NO5S2 (C19 H19 NO5 S2)

Compound Name

methyl 2-({8-methyl-4-oxo-4H-thieno[3,2-c]chromen-2-yl}formamido)-4-(methylsulfanyl)butanoate

IUPAC name

methyl 2-({8-methyl-4-oxo-4H-thieno[32-c]chromen-2-yl}formamido)-4-(methylsulfanyl)butanoate

SMILES

Cc(cc1)cc(-c2c3cc(C(NC(CCSC)C(OC)=O)=O)s2)c1OC3=O

InChI

InChI=1S/C19H19NO5S2/c1-10-4-5-14-11(8-10)16-12(18(22)25-14)9-15(27-16)17(21)20-13(6-7-26-3)19(23)24-2/h4-5,8-9,13H,6-7H2,1-3H3,(H,20,21)/t13-/m0/s1

InChI Key

ITWKTQQBZKUPQK-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14774133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.395

Distribution Coefficient, logD

3.395

Water Solubility, LogSw

-3.74

Polar Surface Area

67.396

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

-4.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

C593-1329 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C593-1329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-1329?
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What is the minimum amount of C593-1329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-1329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-1329
  • 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 C593-1329 available by request