2556-2394 Screening compound: ethyl 5-acetyl-2-(4-tert-butylbenzamido)-4-methylthiophene-3-carboxylate

2556-2394 Screening compound: ethyl 5-acetyl-2-(4-tert-butylbenzamido)-4-methylthiophene-3-carboxylate
2556-2394 Screening compound: ethyl 5-acetyl-2-(4-tert-butylbenzamido)-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2556-2394
ethyl 5-acetyl-2-(4-tert-butylbenzamido)-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

2556-2394

Molecular Formula

C21H25NO4S (C21 H25 NO4 S)

Compound Name

ethyl 5-acetyl-2-(4-tert-butylbenzamido)-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 5-acetyl-2-(4-tert-butylbenzamido)-4-methylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2ccc(C(C)(C)C)cc2)=O)sc(C(C)=O)c1C)=O

InChI

InChI=1S/C21H25NO4S/c1-7-26-20(25)16-12(2)17(13(3)23)27-19(16)22-18(24)14-8-10-15(11-9-14)21(4,5)6/h8-11H,7H2,1-6H3,(H,22,24)

InChI Key

KBEZNVRFFHJSOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01072423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.799

Distribution Coefficient, logD

0.513

Water Solubility, LogSw

-4.67

Polar Surface Area

57.704

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-10.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 2556-2394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2556-2394?
Check Price and Availability of 2556-2394, 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 2556-2394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2556-2394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2556-2394
  • 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 2556-2394 available by request