D731-0137 Screening compound: 5-(2-thienyl)-3,5,5a,11b-tetrahydro-2H,6H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2,6-dione

D731-0137 Screening compound: 5-(2-thienyl)-3,5,5a,11b-tetrahydro-2H,6H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2,6-dione
D731-0137 Screening compound: 5-(2-thienyl)-3,5,5a,11b-tetrahydro-2H,6H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0137
5-(2-thienyl)-3,5,5a,11b-tetrahydro-2H,6H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2,6-dione

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

D731-0137

Molecular Formula

C17H11NO3S3 (C17 H11 NO3 S3)

Compound Name

5-(2-thienyl)-3,5,5a,11b-tetrahydro-2H,6H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2,6-dione

IUPAC name

11-(thiophen-2-yl)-8-oxa-1216-dithia-14-azatetracyclo[8.7.0.0^{27}.0^{1317}]heptadeca-2(7)3513(17)-tetraene-915-dione

SMILES

O=C(N1)SC(C(C23)c(cccc4)c4OC2=O)=C1SC3c1cccs1

InChI

InChI=1S/C17H11NO3S3/c19-16-12-11(8-4-1-2-5-9(8)21-16)14-15(18-17(20)24-14)23-13(12)10-6-3-7-22-10/h1-7,11-13H,(H,18,20)

InChI Key

GCEXLXPOOVEZRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10081943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.740

Distribution Coefficient, logD

3.740

Water Solubility, LogSw

-4.41

Polar Surface Area

44.890

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

17.60

D731-0137 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 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 D731-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0137?
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What is the minimum amount of D731-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0137
  • 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 D731-0137 available by request