F389-0037 Screening compound: (2Z)-6-(azepane-1-carbonyl)-2-[(4-chlorophenyl)methylidene]-3,4-dihydro-2H-1,4-benzoxazin-3-one

F389-0037 Screening compound: (2Z)-6-(azepane-1-carbonyl)-2-[(4-chlorophenyl)methylidene]-3,4-dihydro-2H-1,4-benzoxazin-3-one
F389-0037 Screening compound: (2Z)-6-(azepane-1-carbonyl)-2-[(4-chlorophenyl)methylidene]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F389-0037
(2Z)-6-(azepane-1-carbonyl)-2-[(4-chlorophenyl)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

F389-0037

Molecular Formula

C22H21ClN2O3 (C22 H21 ClN2 O3)

Compound Name

(2Z)-6-(azepane-1-carbonyl)-2-[(4-chlorophenyl)methylidene]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

(2Z)-6-(azepane-1-carbonyl)-2-[(4-chlorophenyl)methylidene]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(c(cc1)cc(NC2=O)c1O/C2=C\c(cc1)ccc1Cl)N1CCCCCC1

InChI

InChI=1S/C22H21ClN2O3/c23-17-8-5-15(6-9-17)13-20-21(26)24-18-14-16(7-10-19(18)28-20)22(27)25-11-3-1-2-4-12-25/h5-10,13-14H,1-4,11-12H2,(H,24,26)

InChI Key

XMUVVLSNELBCLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14952832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.434

Distribution Coefficient, logD

4.434

Water Solubility, LogSw

-4.93

Polar Surface Area

49.787

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with F389-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F389-0037?
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What is the minimum amount of F389-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F389-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F389-0037
  • 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 F389-0037 available by request