F118-0702 Screening compound: 4-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

F118-0702 Screening compound: 4-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
F118-0702 Screening compound: 4-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F118-0702
4-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

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

F118-0702

Molecular Formula

C22H24ClN3O5 (C22 H24 ClN3 O5)

Compound Name

4-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

IUPAC name

4-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-NN-diethyl-3-oxo-34-dihydro-2H-14-benzoxazine-6-carboxamide

SMILES

CCN(CC)C(c(cc1)cc(N2CC(Nc(cc3)cc(Cl)c3OC)=O)c1OCC2=O)=O

InChI

InChI=1S/C22H24ClN3O5/c1-4-25(5-2)22(29)14-6-8-19-17(10-14)26(21(28)13-31-19)12-20(27)24-15-7-9-18(30-3)16(23)11-15/h6-11H,4-5,12-13H2,1-3H3,(H,24,27)

InChI Key

BOVMMUMESAFKJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.244

Distribution Coefficient, logD

2.244

Water Solubility, LogSw

-3.38

Polar Surface Area

70.780

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with F118-0702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F118-0702?
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What is the minimum amount of F118-0702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F118-0702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F118-0702
  • 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 F118-0702 available by request