K091-1089 Screening compound: (4E)-4-{[(2-methoxy-4-nitrophenyl)amino]methylidene}-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one

K091-1089 Screening compound: (4E)-4-{[(2-methoxy-4-nitrophenyl)amino]methylidene}-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one
K091-1089 Screening compound: (4E)-4-{[(2-methoxy-4-nitrophenyl)amino]methylidene}-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K091-1089
(4E)-4-{[(2-methoxy-4-nitrophenyl)amino]methylidene}-2-(3,4,5-trimethoxyphenyl)-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

K091-1089

Molecular Formula

C20H19N3O8 (C20 H19 N3 O8)

Compound Name

(4E)-4-{[(2-methoxy-4-nitrophenyl)amino]methylidene}-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4E)-4-{[(2-methoxy-4-nitrophenyl)amino]methylidene}-2-(345-trimethoxyphenyl)-45-dihydro-13-oxazol-5-one

SMILES

COc(cc(cc1)[N+]([O-])=O)c1N/C=C1/N=C(c(cc2OC)cc(OC)c2OC)OC1=O

InChI

InChI=1S/C20H19N3O8/c1-27-15-9-12(23(25)26)5-6-13(15)21-10-14-20(24)31-19(22-14)11-7-16(28-2)18(30-4)17(8-11)29-3/h5-10,21H,1-4H3

InChI Key

HWNQIVCXDJQAHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.39

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.586

Distribution Coefficient, logD

2.256

Water Solubility, LogSw

-3.24

Polar Surface Area

105.269

Acid Dissociation Constant (pKa)

7.34

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with K091-1089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K091-1089?
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What is the minimum amount of K091-1089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K091-1089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K091-1089
  • 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 K091-1089 available by request