2425-3349 Screening compound: methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate

2425-3349 Screening compound: methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate
2425-3349 Screening compound: methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2425-3349
methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-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

2425-3349

Molecular Formula

C19H21NO5S (C19 H21 NO5 S)

Compound Name

methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate

IUPAC name

methyl 5-benzyl-2-(4-methoxy-4-oxobutanamido)-4-methylthiophene-3-carboxylate

SMILES

Cc1c(Cc2ccccc2)sc(NC(CCC(OC)=O)=O)c1C(OC)=O

InChI

InChI=1S/C19H21NO5S/c1-12-14(11-13-7-5-4-6-8-13)26-18(17(12)19(23)25-3)20-15(21)9-10-16(22)24-2/h4-8H,9-11H2,1-3H3,(H,20,21)

InChI Key

KUGQIBBLFCYZNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01120065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.100

Distribution Coefficient, logD

1.321

Water Solubility, LogSw

-3.39

Polar Surface Area

64.663

Acid Dissociation Constant (pKa)

5.63

Base Dissociation Constant (pKb)

-5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with 2425-3349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2425-3349?
Check Price and Availability of 2425-3349, 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 2425-3349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2425-3349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2425-3349
  • 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 2425-3349 available by request