K091-0606 Screening compound: (4E)-4-{[(2-iodophenyl)amino]methylidene}-2-(naphthalen-1-yl)-4,5-dihydro-1,3-oxazol-5-one

K091-0606 Screening compound: (4E)-4-{[(2-iodophenyl)amino]methylidene}-2-(naphthalen-1-yl)-4,5-dihydro-1,3-oxazol-5-one
K091-0606 Screening compound: (4E)-4-{[(2-iodophenyl)amino]methylidene}-2-(naphthalen-1-yl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K091-0606
(4E)-4-{[(2-iodophenyl)amino]methylidene}-2-(naphthalen-1-yl)-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

K091-0606

Molecular Formula

C20H13IN2O2 (C20 H13 IN2 O2)

Compound Name

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

IUPAC name

(4E)-4-{[(2-iodophenyl)amino]methylidene}-2-(naphthalen-1-yl)-45-dihydro-13-oxazol-5-one

SMILES

O=C1OC(c2cccc3ccccc23)=N/C1=C/Nc(cccc1)c1I

InChI

InChI=1S/C20H13IN2O2/c21-16-10-3-4-11-17(16)22-12-18-20(24)25-19(23-18)15-9-5-7-13-6-1-2-8-14(13)15/h1-12,22H

InChI Key

YZYPHJXZJKAVSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01531876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.475

Distribution Coefficient, logD

4.473

Water Solubility, LogSw

-4.62

Polar Surface Area

41.007

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with K091-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K091-0606?
Check Price and Availability of K091-0606, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K091-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K091-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K091-0606
  • 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 K091-0606 available by request