K091-0156 Screening compound: (4E)-4-{[(4-iodophenyl)amino]methylidene}-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one

K091-0156 Screening compound: (4E)-4-{[(4-iodophenyl)amino]methylidene}-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one
K091-0156 Screening compound: (4E)-4-{[(4-iodophenyl)amino]methylidene}-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K091-0156
(4E)-4-{[(4-iodophenyl)amino]methylidene}-2-(4-nitrophenyl)-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

K091-0156

Molecular Formula

C16H10IN3O4 (C16 H10 IN3 O4)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1C(OC1=O)=N/C1=C/Nc(cc1)ccc1I)=O

InChI

InChI=1S/C16H10IN3O4/c17-11-3-5-12(6-4-11)18-9-14-16(21)24-15(19-14)10-1-7-13(8-2-10)20(22)23/h1-9,18H

InChI Key

XFWXTJKAOGUDLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.18

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.178

Distribution Coefficient, logD

4.177

Water Solubility, LogSw

-4.57

Polar Surface Area

75.358

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with K091-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K091-0156?
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What is the minimum amount of K091-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K091-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K091-0156
  • 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 K091-0156 available by request