Y200-3615 Screening compound: 3-{[3-(BENZYLCARBAMOYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]CARBAMOYL}PROPANOIC ACID

Y200-3615 Screening compound: 3-{[3-(BENZYLCARBAMOYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]CARBAMOYL}PROPANOIC ACID
Y200-3615 Screening compound: 3-{[3-(BENZYLCARBAMOYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]CARBAMOYL}PROPANOIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-3615
3-{[3-(BENZYLCARBAMOYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-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

Y200-3615

Molecular Formula

C20H22N2O4S (C20 H22 N2 O4 S)

Compound Name

3-{[3-(BENZYLCARBAMOYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]CARBAMOYL}PROPANOIC ACID

IUPAC name

n/a

SMILES

OC(CCC(Nc1c(C(NCc2ccccc2)=O)c(CCCC2)c2s1)=O)=O

InChI

InChI=1S/C20H22N2O4S/c23-16(10-11-17(24)25)22-20-18(14-8-4-5-9-15(14)27-20)19(26)21-12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,21,26)(H,22,23)(H,24,25)

InChI Key

UAKVTBUKTIQOAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06021687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.323

Distribution Coefficient, logD

-0.627

Water Solubility, LogSw

-2.75

Polar Surface Area

75.900

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

Y200-3615 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y200-3615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-3615?
Check Price and Availability of Y200-3615, 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 Y200-3615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-3615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-3615
  • 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 Y200-3615 available by request