F118-0556 Screening compound: 4-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-N,N-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

F118-0556 Screening compound: 4-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-N,N-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
F118-0556 Screening compound: 4-{[(3-chloro-4-methoxyphenyl)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 F118-0556
4-{[(3-chloro-4-methoxyphenyl)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

F118-0556

Molecular Formula

C20H20ClN3O5 (C20 H20 ClN3 O5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H20ClN3O5/c1-23(2)20(27)12-4-6-17-15(8-12)24(19(26)11-29-17)10-18(25)22-13-5-7-16(28-3)14(21)9-13/h4-9H,10-11H2,1-3H3,(H,22,25)

InChI Key

UFAGEYLWEXUWBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.278

Distribution Coefficient, logD

1.278

Water Solubility, LogSw

-2.88

Polar Surface Area

70.849

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F118-0556 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 F118-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F118-0556?
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What is the minimum amount of F118-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F118-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F118-0556
  • 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 F118-0556 available by request