F118-0528 Screening compound: 4-{[(2-methoxyethyl)carbamoyl]methyl}-N,N-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

F118-0528 Screening compound: 4-{[(2-methoxyethyl)carbamoyl]methyl}-N,N-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
F118-0528 Screening compound: 4-{[(2-methoxyethyl)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 F118-0528
4-{[(2-methoxyethyl)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

F118-0528

Molecular Formula

C16H21N3O5 (C16 H21 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CN(C)C(c(cc1)cc(N2CC(NCCOC)=O)c1OCC2=O)=O

InChI

InChI=1S/C16H21N3O5/c1-18(2)16(22)11-4-5-13-12(8-11)19(15(21)10-24-13)9-14(20)17-6-7-23-3/h4-5,8H,6-7,9-10H2,1-3H3,(H,17,20)

InChI Key

QICKLKUJEHUPKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-1.321

Distribution Coefficient, logD

-1.321

Water Solubility, LogSw

-1.92

Polar Surface Area

72.996

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

F118-0528 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 F118-0528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F118-0528?
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What is the minimum amount of F118-0528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F118-0528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F118-0528
  • 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 F118-0528 available by request