V018-9378 Screening compound: 1-fluoro-3-[({(E)-1-isopropoxy-1-[(1-phenylethyl)amino]methylidene}amino)carbonyl]benzene

V018-9378 Screening compound: 1-fluoro-3-[({(E)-1-isopropoxy-1-[(1-phenylethyl)amino]methylidene}amino)carbonyl]benzene
V018-9378 Screening compound: 1-fluoro-3-[({(E)-1-isopropoxy-1-[(1-phenylethyl)amino]methylidene}amino)carbonyl]benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-9378
1-fluoro-3-[({(E)-1-isopropoxy-1-[(1-phenylethyl)amino]methylidene}amino)carbonyl]benzene

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

V018-9378

Molecular Formula

C19H21FN2O2 (C19 H21 FN2 O2)

Compound Name

1-fluoro-3-[({(E)-1-isopropoxy-1-[(1-phenylethyl)amino]methylidene}amino)carbonyl]benzene

IUPAC name

3-fluoro-N-[(E)-[(1-phenylethyl)amino](propan-2-yloxy)methylidene]benzamide

SMILES

CC(C)O/C(/NC(C)c1ccccc1)=N/C(c1cccc(F)c1)=O

InChI

InChI=1S/C19H21FN2O2/c1-13(2)24-19(21-14(3)15-8-5-4-6-9-15)22-18(23)16-10-7-11-17(20)12-16/h4-14H,1-3H3,(H,21,22,23)/t14-/m0/s1

InChI Key

XVIVUVCVLFLJHU-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD20018870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.381

Distribution Coefficient, logD

3.380

Water Solubility, LogSw

-3.84

Polar Surface Area

39.927

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

V018-9378 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V018-9378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-9378?
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What is the minimum amount of V018-9378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-9378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-9378
  • 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 V018-9378 available by request