C311-0492 Screening compound: (2Z)-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylidene]-3,4-dihydro-2H-1,4-benzoxazin-3-one

C311-0492 Screening compound: (2Z)-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylidene]-3,4-dihydro-2H-1,4-benzoxazin-3-one
C311-0492 Screening compound: (2Z)-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylidene]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C311-0492
(2Z)-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylidene]-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

C311-0492

Molecular Formula

C28H26FN3O3 (C28 H26 FN3 O3)

Compound Name

(2Z)-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylidene]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

(2Z)-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylidene]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(CN(c(cccc1)c1O/C1=C\c(cccc2)c2F)C1=O)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C28H26FN3O3/c29-23-11-5-4-10-22(23)18-26-28(34)32(24-12-6-7-13-25(24)35-26)20-27(33)31-16-14-30(15-17-31)19-21-8-2-1-3-9-21/h1-13,18H,14-17,19-20H2

InChI Key

IURQEVZSGZEKJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.772

Distribution Coefficient, logD

3.756

Water Solubility, LogSw

-4.21

Polar Surface Area

42.966

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with C311-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C311-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C311-0492
  • 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 C311-0492 available by request