Y200-5961 Screening compound: 4-{[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}butanoic acid

Y200-5961 Screening compound: 4-{[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}butanoic acid
Y200-5961 Screening compound: 4-{[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-5961
4-{[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

Y200-5961

Molecular Formula

C17H23NO5S (C17 H23 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOC(c1c(NC(CCCC(O)=O)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C17H23NO5S/c1-2-10-23-17(22)15-11-6-3-4-7-12(11)24-16(15)18-13(19)8-5-9-14(20)21/h2-10H2,1H3,(H,18,19)(H,20,21)

InChI Key

JYWLMZSDTNKLMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01351500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.44

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

2.434

Distribution Coefficient, logD

-0.164

Water Solubility, LogSw

-2.57

Polar Surface Area

72.534

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

Y200-5961 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y200-5961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-5961?
Check Price and Availability of Y200-5961, 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 Y200-5961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-5961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-5961
  • 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 Y200-5961 available by request