Y200-6025 Screening compound: 3-methyl-4-({3-[(2-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)butanoic acid

Y200-6025 Screening compound: 3-methyl-4-({3-[(2-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)butanoic acid
Y200-6025 Screening compound: 3-methyl-4-({3-[(2-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-6025
3-methyl-4-({3-[(2-methylphenyl)carbamoyl]-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

Y200-6025

Molecular Formula

C22H26N2O4S (C22 H26 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC(Nc1c(C(Nc2c(C)cccc2)=O)c(CCCC2)c2s1)=O)CC(O)=O

InChI

InChI=1S/C22H26N2O4S/c1-13(12-19(26)27)11-18(25)24-22-20(15-8-4-6-10-17(15)29-22)21(28)23-16-9-5-3-7-14(16)2/h3,5,7,9,13H,4,6,8,10-12H2,1-2H3,(H,23,28)(H,24,25)(H,26,27)/t13-/m0/s1

InChI Key

UPCVMALEVLGIFI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD06023595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

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

3.611

Distribution Coefficient, logD

1.044

Water Solubility, LogSw

-4.07

Polar Surface Area

73.880

Acid Dissociation Constant (pKa)

4.83

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

Y200-6025 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 Y200-6025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-6025?
Check Price and Availability of Y200-6025, 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 Y200-6025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-6025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-6025
  • 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 Y200-6025 available by request