F118-0471 Screening compound: 4-{[(2,3-dimethylphenyl)carbamoyl]methyl}-N,N-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

F118-0471 Screening compound: 4-{[(2,3-dimethylphenyl)carbamoyl]methyl}-N,N-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
F118-0471 Screening compound: 4-{[(2,3-dimethylphenyl)carbamoyl]methyl}-N,N-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F118-0471
4-{[(2,3-dimethylphenyl)carbamoyl]methyl}-N,N-dimethyl-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

F118-0471

Molecular Formula

C21H23N3O4 (C21 H23 N3 O4)

Compound Name

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

IUPAC name

4-{[(23-dimethylphenyl)carbamoyl]methyl}-NN-dimethyl-3-oxo-34-dihydro-2H-14-benzoxazine-6-carboxamide

SMILES

Cc1cccc(NC(CN2c(cc(cc3)C(N(C)C)=O)c3OCC2=O)=O)c1C

InChI

InChI=1S/C21H23N3O4/c1-13-6-5-7-16(14(13)2)22-19(25)11-24-17-10-15(21(27)23(3)4)8-9-18(17)28-12-20(24)26/h5-10H,11-12H2,1-4H3,(H,22,25)

InChI Key

QEQLXYVKUWWQMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.398

Distribution Coefficient, logD

1.398

Water Solubility, LogSw

-2.31

Polar Surface Area

62.520

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with F118-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F118-0471?
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What is the minimum amount of F118-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F118-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F118-0471
  • 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 F118-0471 available by request