Y205-7879 Screening compound: 4-oxo-4-[(3-{[3-(trifluoromethyl)anilino]carbonyl}-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]butanoic acid

Y205-7879 Screening compound: 4-oxo-4-[(3-{[3-(trifluoromethyl)anilino]carbonyl}-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]butanoic acid
Y205-7879 Screening compound: 4-oxo-4-[(3-{[3-(trifluoromethyl)anilino]carbonyl}-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-7879
4-oxo-4-[(3-{[3-(trifluoromethyl)anilino]carbonyl}-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]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

Y205-7879

Molecular Formula

C19H17F3N2O4S (C19 H17 F3 N2 O4 S)

Compound Name

4-oxo-4-[(3-{[3-(trifluoromethyl)anilino]carbonyl}-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]butanoic acid

IUPAC name

3-[(3-{[3-(trifluoromethyl)phenyl]carbamoyl}-4H5H6H-cyclopenta[b]thiophen-2-yl)carbamoyl]propanoic acid

SMILES

OC(CCC(Nc1c(C(Nc2cc(C(F)(F)F)ccc2)=O)c(CCC2)c2s1)=O)=O

InChI

InChI=1S/C19H17F3N2O4S/c20-19(21,22)10-3-1-4-11(9-10)23-17(28)16-12-5-2-6-13(12)29-18(16)24-14(25)7-8-15(26)27/h1,3-4,9H,2,5-8H2,(H,23,28)(H,24,25)(H,26,27)

InChI Key

DLZNEMYDBPLGGS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.42

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

3.417

Distribution Coefficient, logD

0.467

Water Solubility, LogSw

-4.02

Polar Surface Area

74.944

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

References: we are preparing a list of scientific research reports with Y205-7879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-7879?
Check Price and Availability of Y205-7879, 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 Y205-7879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-7879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-7879
  • 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 Y205-7879 available by request