Y200-3948 Screening compound: 2-(2-oxo-2-{[3-(4-toluidinocarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}ethoxy)acetic acid

Y200-3948 Screening compound: 2-(2-oxo-2-{[3-(4-toluidinocarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}ethoxy)acetic acid
Y200-3948 Screening compound: 2-(2-oxo-2-{[3-(4-toluidinocarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}ethoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-3948
2-(2-oxo-2-{[3-(4-toluidinocarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}ethoxy)acetic 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

Y200-3948

Molecular Formula

C20H22N2O5S (C20 H22 N2 O5 S)

Compound Name

2-(2-oxo-2-{[3-(4-toluidinocarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}ethoxy)acetic acid

IUPAC name

2-[({3-[(4-methylphenyl)carbamoyl]-4567-tetrahydro-1-benzothiophen-2-yl}carbamoyl)methoxy]acetic acid

SMILES

Cc(cc1)ccc1NC(c1c(NC(COCC(O)=O)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C20H22N2O5S/c1-12-6-8-13(9-7-12)21-19(26)18-14-4-2-3-5-15(14)28-20(18)22-16(23)10-27-11-17(24)25/h6-9H,2-5,10-11H2,1H3,(H,21,26)(H,22,23)(H,24,25)

InChI Key

IRBGDNLWDNLRIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06023499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.992

Distribution Coefficient, logD

-0.538

Water Solubility, LogSw

-3.51

Polar Surface Area

83.012

Acid Dissociation Constant (pKa)

3.87

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

Y200-3948 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with Y200-3948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-3948?
Check Price and Availability of Y200-3948, 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 Y200-3948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-3948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-3948
  • 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 Y200-3948 available by request