3718-0062 Screening compound: ethyl 2-amino-4-(4-fluorophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

3718-0062 Screening compound: ethyl 2-amino-4-(4-fluorophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
3718-0062 Screening compound: ethyl 2-amino-4-(4-fluorophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3718-0062
ethyl 2-amino-4-(4-fluorophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-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

3718-0062

Molecular Formula

C24H22FNO4 (C24 H22 FNO4)

Compound Name

ethyl 2-amino-4-(4-fluorophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

IUPAC name

ethyl 2-amino-4-(4-fluorophenyl)-5-oxo-7-phenyl-5678-tetrahydro-4H-chromene-3-carboxylate

SMILES

CCOC(C(C1c(cc2)ccc2F)=C(N)OC(CC(C2)c3ccccc3)=C1C2=O)=O

InChI

InChI=1S/C24H22FNO4/c1-2-29-24(28)22-20(15-8-10-17(25)11-9-15)21-18(27)12-16(13-19(21)30-23(22)26)14-6-4-3-5-7-14/h3-11,16,20H,2,12-13,26H2,1H3

InChI Key

KQZFSQMKZYFRDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02952983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.121

Distribution Coefficient, logD

4.121

Water Solubility, LogSw

-4.39

Polar Surface Area

63.028

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3718-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3718-0062?
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What is the minimum amount of 3718-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3718-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3718-0062
  • 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 3718-0062 available by request