D304-0049 Screening compound: methyl 5'-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-[2,3'-bithiophene]-4'-carboxylate

D304-0049 Screening compound: methyl 5'-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-[2,3'-bithiophene]-4'-carboxylate
D304-0049 Screening compound: methyl 5'-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-[2,3'-bithiophene]-4'-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D304-0049
methyl 5'-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-[2,3'-bithiophene]-4'-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

D304-0049

Molecular Formula

C22H17NO6S2 (C22 H17 NO6 S2)

Compound Name

methyl 5'-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-[2,3'-bithiophene]-4'-carboxylate

IUPAC name

methyl 5'-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-[23'-bithiophene]-4'-carboxylate

SMILES

CC(c(ccc(OCC(Nc1c(C(OC)=O)c(-c2cccs2)cs1)=O)c1)c1O1)=CC1=O

InChI

InChI=1S/C22H17NO6S2/c1-12-8-19(25)29-16-9-13(5-6-14(12)16)28-10-18(24)23-21-20(22(26)27-2)15(11-31-21)17-4-3-7-30-17/h3-9,11H,10H2,1-2H3,(H,23,24)

InChI Key

VUEBPJUHPIXWMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09540697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.869

Distribution Coefficient, logD

3.844

Water Solubility, LogSw

-4.25

Polar Surface Area

72.738

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

-7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D304-0049 in Drug Discovery

Included in Screening Libraries

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 D304-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D304-0049?
Check Price and Availability of D304-0049, 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 D304-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D304-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D304-0049
  • 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 D304-0049 available by request