2798-1113 Screening compound: methyl 2-{2-[4-(propan-2-yl)phenoxy]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

2798-1113 Screening compound: methyl 2-{2-[4-(propan-2-yl)phenoxy]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
2798-1113 Screening compound: methyl 2-{2-[4-(propan-2-yl)phenoxy]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2798-1113
methyl 2-{2-[4-(propan-2-yl)phenoxy]acetamido}-4H,5H,6H-cyclopenta[b]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

2798-1113

Molecular Formula

C20H23NO4S (C20 H23 NO4 S)

Compound Name

methyl 2-{2-[4-(propan-2-yl)phenoxy]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

methyl 2-{2-[4-(propan-2-yl)phenoxy]acetamido}-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CC(C)c(cc1)ccc1OCC(Nc1c(C(OC)=O)c(CCC2)c2s1)=O

InChI

InChI=1S/C20H23NO4S/c1-12(2)13-7-9-14(10-8-13)25-11-17(22)21-19-18(20(23)24-3)15-5-4-6-16(15)26-19/h7-10,12H,4-6,11H2,1-3H3,(H,21,22)

InChI Key

WVNDQQXIUVZAGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01918304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.693

Distribution Coefficient, logD

2.490

Water Solubility, LogSw

-4.61

Polar Surface Area

51.870

Acid Dissociation Constant (pKa)

5.20

Base Dissociation Constant (pKb)

-4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

2798-1113 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 2798-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2798-1113?
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What is the minimum amount of 2798-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2798-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2798-1113
  • 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 2798-1113 available by request