6049-1157 Screening compound: 4-{[6-methyl-3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}butanoic acid

6049-1157 Screening compound: 4-{[6-methyl-3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}butanoic acid
6049-1157 Screening compound: 4-{[6-methyl-3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-1157
4-{[6-methyl-3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}butanoic 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

6049-1157

Molecular Formula

C18H25NO5S (C18 H25 NO5 S)

Compound Name

4-{[6-methyl-3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}butanoic acid

IUPAC name

4-{[6-methyl-3-(propoxycarbonyl)-4567-tetrahydro-1-benzothiophen-2-yl]carbamoyl}butanoic acid

SMILES

CCCOC(c1c(NC(CCCC(O)=O)=O)sc2c1CCC(C)C2)=O

InChI

InChI=1S/C18H25NO5S/c1-3-9-24-18(23)16-12-8-7-11(2)10-13(12)25-17(16)19-14(20)5-4-6-15(21)22/h11H,3-10H2,1-2H3,(H,19,20)(H,21,22)/t11-/m1/s1

InChI Key

IVOSGOWGDLVJLZ-LLVKDONJSA-N

MDL Number (MFCD)

MFCD01345384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.868

Distribution Coefficient, logD

0.270

Water Solubility, LogSw

-3.24

Polar Surface Area

72.534

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

6049-1157 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6049-1157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-1157?
Check Price and Availability of 6049-1157, 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 6049-1157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-1157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-1157
  • 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 6049-1157 available by request