K091-0986 Screening compound: (4Z)-2-(4-butoxyphenyl)-4-{[(3-nitrophenyl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one

K091-0986 Screening compound: (4Z)-2-(4-butoxyphenyl)-4-{[(3-nitrophenyl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one
K091-0986 Screening compound: (4Z)-2-(4-butoxyphenyl)-4-{[(3-nitrophenyl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K091-0986
(4Z)-2-(4-butoxyphenyl)-4-{[(3-nitrophenyl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-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

K091-0986

Molecular Formula

C20H19N3O5 (C20 H19 N3 O5)

Compound Name

(4Z)-2-(4-butoxyphenyl)-4-{[(3-nitrophenyl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-2-(4-butoxyphenyl)-4-{[(3-nitrophenyl)amino]methylidene}-45-dihydro-13-oxazol-5-one

SMILES

CCCCOc(cc1)ccc1C(OC1=O)=N/C1=C\Nc1cccc([N+]([O-])=O)c1

InChI

InChI=1S/C20H19N3O5/c1-2-3-11-27-17-9-7-14(8-10-17)19-22-18(20(24)28-19)13-21-15-5-4-6-16(12-15)23(25)26/h4-10,12-13,21H,2-3,11H2,1H3

InChI Key

YSFVJWVAPHAXRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.421

Distribution Coefficient, logD

4.413

Water Solubility, LogSw

-4.27

Polar Surface Area

82.776

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with K091-0986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K091-0986?
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What is the minimum amount of K091-0986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K091-0986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K091-0986
  • 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 K091-0986 available by request