4555-2497 Screening compound: ethyl 2-[3-(morpholin-4-yl)propanamido]-5-phenylthiophene-3-carboxylate

4555-2497 Screening compound: ethyl 2-[3-(morpholin-4-yl)propanamido]-5-phenylthiophene-3-carboxylate
4555-2497 Screening compound: ethyl 2-[3-(morpholin-4-yl)propanamido]-5-phenylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4555-2497
ethyl 2-[3-(morpholin-4-yl)propanamido]-5-phenylthiophene-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

4555-2497

Molecular Formula

C20H24N2O4S (C20 H24 N2 O4 S)

Compound Name

ethyl 2-[3-(morpholin-4-yl)propanamido]-5-phenylthiophene-3-carboxylate

IUPAC name

ethyl 2-[3-(morpholin-4-yl)propanamido]-5-phenylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CCN2CCOCC2)=O)sc(-c2ccccc2)c1)=O

InChI

InChI=1S/C20H24N2O4S/c1-2-26-20(24)16-14-17(15-6-4-3-5-7-15)27-19(16)21-18(23)8-9-22-10-12-25-13-11-22/h3-7,14H,2,8-13H2,1H3,(H,21,23)

InChI Key

CPANTQXYOWLDBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02654803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.119

Distribution Coefficient, logD

3.049

Water Solubility, LogSw

-3.43

Polar Surface Area

55.284

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

4555-2497 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4555-2497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4555-2497?
Check Price and Availability of 4555-2497, 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 4555-2497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4555-2497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4555-2497
  • 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 4555-2497 available by request