Y200-2048 Screening compound: methyl 2-(3-cyclopentylpropanamido)-4-[4-(propan-2-yl)phenyl]thiophene-3-carboxylate

Y200-2048 Screening compound: methyl 2-(3-cyclopentylpropanamido)-4-[4-(propan-2-yl)phenyl]thiophene-3-carboxylate
Y200-2048 Screening compound: methyl 2-(3-cyclopentylpropanamido)-4-[4-(propan-2-yl)phenyl]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-2048
methyl 2-(3-cyclopentylpropanamido)-4-[4-(propan-2-yl)phenyl]thiophene-3-carboxylate

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

Y200-2048

Molecular Formula

C23H29NO3S (C23 H29 NO3 S)

Compound Name

methyl 2-(3-cyclopentylpropanamido)-4-[4-(propan-2-yl)phenyl]thiophene-3-carboxylate

IUPAC name

methyl 2-(3-cyclopentylpropanamido)-4-[4-(propan-2-yl)phenyl]thiophene-3-carboxylate

SMILES

CC(C)c(cc1)ccc1-c1csc(NC(CCC2CCCC2)=O)c1C(OC)=O

InChI

InChI=1S/C23H29NO3S/c1-15(2)17-9-11-18(12-10-17)19-14-28-22(21(19)23(26)27-3)24-20(25)13-8-16-6-4-5-7-16/h9-12,14-16H,4-8,13H2,1-3H3,(H,24,25)

InChI Key

OXUUVTQQMQARMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02244704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.071

Distribution Coefficient, logD

6.049

Water Solubility, LogSw

-5.62

Polar Surface Area

44.371

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

Y200-2048 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 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:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y200-2048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-2048?
Check Price and Availability of Y200-2048, 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 Y200-2048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-2048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-2048
  • 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 Y200-2048 available by request