5983-0888 Screening compound: methyl 2-amino-4-{2-[(2-fluorophenyl)methoxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

5983-0888 Screening compound: methyl 2-amino-4-{2-[(2-fluorophenyl)methoxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
5983-0888 Screening compound: methyl 2-amino-4-{2-[(2-fluorophenyl)methoxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5983-0888
methyl 2-amino-4-{2-[(2-fluorophenyl)methoxy]phenyl}-5-oxo-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

5983-0888

Molecular Formula

C24H22FNO5 (C24 H22 FNO5)

Compound Name

methyl 2-amino-4-{2-[(2-fluorophenyl)methoxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

IUPAC name

methyl 2-amino-4-{2-[(2-fluorophenyl)methoxy]phenyl}-5-oxo-5678-tetrahydro-4H-chromene-3-carboxylate

SMILES

COC(C(C1c(cccc2)c2OCc(cccc2)c2F)=C(N)OC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C24H22FNO5/c1-29-24(28)22-20(21-17(27)10-6-12-19(21)31-23(22)26)15-8-3-5-11-18(15)30-13-14-7-2-4-9-16(14)25/h2-5,7-9,11,20H,6,10,12-13,26H2,1H3/t20-/m1/s1

InChI Key

CBAFOWJXZRSHOS-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD04087031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.739

Distribution Coefficient, logD

3.739

Water Solubility, LogSw

-4.34

Polar Surface Area

71.034

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 5983-0888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5983-0888?
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What is the minimum amount of 5983-0888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5983-0888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5983-0888
  • 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 5983-0888 available by request