2852-4614 Screening compound: ethyl 2-(3-fluorobenzamido)-5-[(3-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

2852-4614 Screening compound: ethyl 2-(3-fluorobenzamido)-5-[(3-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
2852-4614 Screening compound: ethyl 2-(3-fluorobenzamido)-5-[(3-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2852-4614
ethyl 2-(3-fluorobenzamido)-5-[(3-methoxyphenyl)carbamoyl]-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

2852-4614

Molecular Formula

C23H21FN2O5S (C23 H21 FN2 O5 S)

Compound Name

ethyl 2-(3-fluorobenzamido)-5-[(3-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 2-(3-fluorobenzamido)-5-[(3-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2cc(F)ccc2)=O)sc(C(Nc2cc(OC)ccc2)=O)c1C)=O

InChI

InChI=1S/C23H21FN2O5S/c1-4-31-23(29)18-13(2)19(21(28)25-16-9-6-10-17(12-16)30-3)32-22(18)26-20(27)14-7-5-8-15(24)11-14/h5-12H,4H2,1-3H3,(H,25,28)(H,26,27)

InChI Key

YKRIWJPDNINUMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01151628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.439

Distribution Coefficient, logD

-0.861

Water Solubility, LogSw

-4.43

Polar Surface Area

74.513

Acid Dissociation Constant (pKa)

2.10

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

2852-4614 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2852-4614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2852-4614?
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What is the minimum amount of 2852-4614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2852-4614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2852-4614
  • 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 2852-4614 available by request