K088-3008 Screening compound: (4Z)-4-(ethoxymethylidene)-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one

K088-3008 Screening compound: (4Z)-4-(ethoxymethylidene)-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one
K088-3008 Screening compound: (4Z)-4-(ethoxymethylidene)-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K088-3008
(4Z)-4-(ethoxymethylidene)-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

K088-3008

Molecular Formula

C12H10N2O5 (C12 H10 N2 O5)

Compound Name

(4Z)-4-(ethoxymethylidene)-2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-4-(ethoxymethylidene)-2-(4-nitrophenyl)-45-dihydro-13-oxazol-5-one

SMILES

CCO/C=C1\N=C(c(cc2)ccc2[N+]([O-])=O)OC1=O

InChI

InChI=1S/C12H10N2O5/c1-2-18-7-10-12(15)19-11(13-10)8-3-5-9(6-4-8)14(16)17/h3-7H,2H2,1H3

InChI Key

ZMARVJHNAZOGEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.22

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.474

Distribution Coefficient, logD

1.474

Water Solubility, LogSw

-2.11

Polar Surface Area

73.338

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K088-3008 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K088-3008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K088-3008?
Check Price and Availability of K088-3008, 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 K088-3008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K088-3008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K088-3008
  • 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 K088-3008 available by request