F118-0077 Screening compound: N-[(3-methylphenyl)methyl]-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

F118-0077 Screening compound: N-[(3-methylphenyl)methyl]-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
F118-0077 Screening compound: N-[(3-methylphenyl)methyl]-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F118-0077
N-[(3-methylphenyl)methyl]-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

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

F118-0077

Molecular Formula

C23H25N3O4 (C23 H25 N3 O4)

Compound Name

N-[(3-methylphenyl)methyl]-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

IUPAC name

N-[(3-methylphenyl)methyl]-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-34-dihydro-2H-14-benzoxazin-4-yl]acetamide

SMILES

Cc1cccc(CNC(CN2c(cc(cc3)C(N4CCCC4)=O)c3OCC2=O)=O)c1

InChI

InChI=1S/C23H25N3O4/c1-16-5-4-6-17(11-16)13-24-21(27)14-26-19-12-18(23(29)25-9-2-3-10-25)7-8-20(19)30-15-22(26)28/h4-8,11-12H,2-3,9-10,13-15H2,1H3,(H,24,27)

InChI Key

JSBVMJQZHRXDBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.062

Distribution Coefficient, logD

2.062

Water Solubility, LogSw

-2.68

Polar Surface Area

65.554

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with F118-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F118-0077?
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What is the minimum amount of F118-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F118-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F118-0077
  • 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 F118-0077 available by request