2432-4483 Screening compound: ethyl 2-{[(2Z)-3-[(2-fluorophenyl)carbamoyl]-8-methoxy-2H-chromen-2-ylidene]amino}-4,5-dimethylthiophene-3-carboxylate

2432-4483 Screening compound: ethyl 2-{[(2Z)-3-[(2-fluorophenyl)carbamoyl]-8-methoxy-2H-chromen-2-ylidene]amino}-4,5-dimethylthiophene-3-carboxylate
2432-4483 Screening compound: ethyl 2-{[(2Z)-3-[(2-fluorophenyl)carbamoyl]-8-methoxy-2H-chromen-2-ylidene]amino}-4,5-dimethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2432-4483
ethyl 2-{[(2Z)-3-[(2-fluorophenyl)carbamoyl]-8-methoxy-2H-chromen-2-ylidene]amino}-4,5-dimethylthiophene-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

2432-4483

Molecular Formula

C26H23FN2O5S (C26 H23 FN2 O5 S)

Compound Name

ethyl 2-{[(2Z)-3-[(2-fluorophenyl)carbamoyl]-8-methoxy-2H-chromen-2-ylidene]amino}-4,5-dimethylthiophene-3-carboxylate

IUPAC name

ethyl 2-{[(2Z)-3-[(2-fluorophenyl)carbamoyl]-8-methoxy-2H-chromen-2-ylidene]amino}-45-dimethylthiophene-3-carboxylate

SMILES

CCOC(c1c(/N=C(/C(C(Nc(cccc2)c2F)=O)=Cc2ccc3)\Oc2c3OC)sc(C)c1C)=O

InChI

InChI=1S/C26H23FN2O5S/c1-5-33-26(31)21-14(2)15(3)35-25(21)29-24-17(23(30)28-19-11-7-6-10-18(19)27)13-16-9-8-12-20(32-4)22(16)34-24/h6-13H,5H2,1-4H3,(H,28,30)

InChI Key

NGSLGOAFVSGNNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.232

Distribution Coefficient, logD

5.225

Water Solubility, LogSw

-5.23

Polar Surface Area

66.201

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

2432-4483 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2432-4483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2432-4483?
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What is the minimum amount of 2432-4483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2432-4483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2432-4483
  • 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 2432-4483 available by request