2159-0110 Screening compound: ethyl 5-acetyl-4-methyl-2-{2-[2-(propan-2-yl)phenoxy]acetamido}thiophene-3-carboxylate

2159-0110 Screening compound: ethyl 5-acetyl-4-methyl-2-{2-[2-(propan-2-yl)phenoxy]acetamido}thiophene-3-carboxylate
2159-0110 Screening compound: ethyl 5-acetyl-4-methyl-2-{2-[2-(propan-2-yl)phenoxy]acetamido}thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-0110
ethyl 5-acetyl-4-methyl-2-{2-[2-(propan-2-yl)phenoxy]acetamido}thiophene-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

2159-0110

Molecular Formula

C21H25NO5S (C21 H25 NO5 S)

Compound Name

ethyl 5-acetyl-4-methyl-2-{2-[2-(propan-2-yl)phenoxy]acetamido}thiophene-3-carboxylate

IUPAC name

ethyl 5-acetyl-4-methyl-2-{2-[2-(propan-2-yl)phenoxy]acetamido}thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(COc2c(C(C)C)cccc2)=O)sc(C(C)=O)c1C)=O

InChI

InChI=1S/C21H25NO5S/c1-6-26-21(25)18-13(4)19(14(5)23)28-20(18)22-17(24)11-27-16-10-8-7-9-15(16)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,22,24)

InChI Key

OLABBOHRQGZWBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01185086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

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

4.356

Distribution Coefficient, logD

1.625

Water Solubility, LogSw

-4.46

Polar Surface Area

65.077

Acid Dissociation Constant (pKa)

4.67

Base Dissociation Constant (pKb)

-8.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 2159-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-0110?
Check Price and Availability of 2159-0110, 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 2159-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-0110
  • 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 2159-0110 available by request