Y205-8076 Screening compound: 2-{[(4-ethyl-5-methyl-3-{[(3-pyridylmethyl)amino]carbonyl}-2-thienyl)amino]carbonyl}-1-cyclohexanecarboxylic acid

Y205-8076 Screening compound: 2-{[(4-ethyl-5-methyl-3-{[(3-pyridylmethyl)amino]carbonyl}-2-thienyl)amino]carbonyl}-1-cyclohexanecarboxylic acid
Y205-8076 Screening compound: 2-{[(4-ethyl-5-methyl-3-{[(3-pyridylmethyl)amino]carbonyl}-2-thienyl)amino]carbonyl}-1-cyclohexanecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-8076
2-{[(4-ethyl-5-methyl-3-{[(3-pyridylmethyl)amino]carbonyl}-2-thienyl)amino]carbonyl}-1-cyclohexanecarboxylic 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

Y205-8076

Molecular Formula

C22H27N3O4S (C22 H27 N3 O4 S)

Compound Name

2-{[(4-ethyl-5-methyl-3-{[(3-pyridylmethyl)amino]carbonyl}-2-thienyl)amino]carbonyl}-1-cyclohexanecarboxylic acid

IUPAC name

2-[(4-ethyl-5-methyl-3-{[(pyridin-3-yl)methyl]carbamoyl}thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

SMILES

CCc1c(C)sc(NC(C(CCCC2)C2C(O)=O)=O)c1C(NCc1cnccc1)=O

InChI

InChI=1S/C22H27N3O4S/c1-3-15-13(2)30-21(18(15)20(27)24-12-14-7-6-10-23-11-14)25-19(26)16-8-4-5-9-17(16)22(28)29/h6-7,10-11,16-17H,3-5,8-9,12H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)

InChI Key

QQNACVGHEMPORL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.54

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

2.667

Distribution Coefficient, logD

0.016

Water Solubility, LogSw

-2.96

Polar Surface Area

85.655

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.45

Y205-8076 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y205-8076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-8076?
Check Price and Availability of Y205-8076, 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 Y205-8076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-8076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-8076
  • 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 Y205-8076 available by request