Y205-8421 Screening compound: 2-({[3-(aminocarbonyl)-4-(4-ethylphenyl)-5-methyl-2-thienyl]amino}carbonyl)-1-cyclohexanecarboxylic acid

Y205-8421 Screening compound: 2-({[3-(aminocarbonyl)-4-(4-ethylphenyl)-5-methyl-2-thienyl]amino}carbonyl)-1-cyclohexanecarboxylic acid
Y205-8421 Screening compound: 2-({[3-(aminocarbonyl)-4-(4-ethylphenyl)-5-methyl-2-thienyl]amino}carbonyl)-1-cyclohexanecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-8421
2-({[3-(aminocarbonyl)-4-(4-ethylphenyl)-5-methyl-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

Y205-8421

Molecular Formula

C22H26N2O4S (C22 H26 N2 O4 S)

Compound Name

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

IUPAC name

2-{[3-carbamoyl-4-(4-ethylphenyl)-5-methylthiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid

SMILES

CCc(cc1)ccc1-c1c(C)sc(NC(C(CCCC2)C2C(O)=O)=O)c1C(N)=O

InChI

InChI=1S/C22H26N2O4S/c1-3-13-8-10-14(11-9-13)17-12(2)29-21(18(17)19(23)25)24-20(26)15-6-4-5-7-16(15)22(27)28/h8-11,15-16H,3-7H2,1-2H3,(H2,23,25)(H,24,26)(H,27,28)

InChI Key

FLXLNHIQZIKJDJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.123

Distribution Coefficient, logD

0.473

Water Solubility, LogSw

-3.38

Polar Surface Area

85.512

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.91

Y205-8421 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y205-8421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-8421?
Check Price and Availability of Y205-8421, 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 Y205-8421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-8421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-8421
  • 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 Y205-8421 available by request