F118-0641 Screening compound: 4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

F118-0641 Screening compound: 4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
F118-0641 Screening compound: 4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F118-0641
4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-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

F118-0641

Molecular Formula

C25H29ClN4O4 (C25 H29 ClN4 O4)

Compound Name

4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

IUPAC name

4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-NN-diethyl-3-oxo-34-dihydro-2H-14-benzoxazine-6-carboxamide

SMILES

CCN(CC)C(c(cc1)cc(N2CC(N(CC3)CCN3c3cccc(Cl)c3)=O)c1OCC2=O)=O

InChI

InChI=1S/C25H29ClN4O4/c1-3-27(4-2)25(33)18-8-9-22-21(14-18)30(24(32)17-34-22)16-23(31)29-12-10-28(11-13-29)20-7-5-6-19(26)15-20/h5-9,14-15H,3-4,10-13,16-17H2,1-2H3

InChI Key

JQIFINAWLDFWPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.881

Distribution Coefficient, logD

1.881

Water Solubility, LogSw

-2.86

Polar Surface Area

59.653

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with F118-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F118-0641?
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What is the minimum amount of F118-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F118-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F118-0641
  • 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 F118-0641 available by request