8009-1726 Screening compound: 7a-methyl-5-oxo-hexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid

8009-1726 Screening compound: 7a-methyl-5-oxo-hexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid
8009-1726 Screening compound: 7a-methyl-5-oxo-hexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1726
7a-methyl-5-oxo-hexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic 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

8009-1726

Molecular Formula

C8H11NO3S (C8 H11 NO3 S)

Compound Name

7a-methyl-5-oxo-hexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid

IUPAC name

7a-methyl-5-oxo-hexahydropyrrolo[21-b][13]thiazole-3-carboxylic acid

SMILES

CC1(CC2)SCC(C(O)=O)N1C2=O

InChI

InChI=1S/C8H11NO3S/c1-8-3-2-6(10)9(8)5(4-13-8)7(11)12/h5H,2-4H2,1H3,(H,11,12)

InChI Key

LVAMAFDAANOMGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00553439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

201.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.121

Distribution Coefficient, logD

-4.602

Water Solubility, LogSw

-0.96

Polar Surface Area

45.799

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-11.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

75.00

8009-1726 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8009-1726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1726?
Check Price and Availability of 8009-1726, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8009-1726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1726
  • 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 8009-1726 available by request