7571-0844 Screening compound: 3-{[3-(methoxycarbonyl)-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl]carbamoyl}propanoic acid

7571-0844 Screening compound: 3-{[3-(methoxycarbonyl)-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl]carbamoyl}propanoic acid
7571-0844 Screening compound: 3-{[3-(methoxycarbonyl)-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl]carbamoyl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7571-0844
3-{[3-(methoxycarbonyl)-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl]carbamoyl}propanoic 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

7571-0844

Molecular Formula

C15H19NO6S (C15 H19 NO6 S)

Compound Name

3-{[3-(methoxycarbonyl)-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl]carbamoyl}propanoic acid

IUPAC name

3-{[3-(methoxycarbonyl)-55-dimethyl-4H5H7H-thieno[23-c]pyran-2-yl]carbamoyl}propanoic acid

SMILES

CC(C)(C1)OCc2c1c(C(OC)=O)c(NC(CCC(O)=O)=O)s2

InChI

InChI=1S/C15H19NO6S/c1-15(2)6-8-9(7-22-15)23-13(12(8)14(20)21-3)16-10(17)4-5-11(18)19/h4-7H2,1-3H3,(H,16,17)(H,18,19)

InChI Key

RIXLOSYRHPTULS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05999145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.343

Distribution Coefficient, logD

-1.607

Water Solubility, LogSw

-1.72

Polar Surface Area

80.357

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

7571-0844 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with 7571-0844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7571-0844?
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What is the minimum amount of 7571-0844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7571-0844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7571-0844
  • 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 7571-0844 available by request