K074-0846 Screening compound: (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one

K074-0846 Screening compound: (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one
K074-0846 Screening compound: (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K074-0846
(4Z)-4-[(5-methylfuran-2-yl)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

K074-0846

Molecular Formula

C18H17NO6 (C18 H17 NO6)

Compound Name

(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2-(345-trimethoxyphenyl)-45-dihydro-13-oxazol-5-one

SMILES

Cc1ccc(/C=C2\N=C(c(cc3OC)cc(OC)c3OC)OC2=O)o1

InChI

InChI=1S/C18H17NO6/c1-10-5-6-12(24-10)9-13-18(20)25-17(19-13)11-7-14(21-2)16(23-4)15(8-11)22-3/h5-9H,1-4H3

InChI Key

HCNCGIAYUAXSBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.845

Distribution Coefficient, logD

2.845

Water Solubility, LogSw

-3.29

Polar Surface Area

60.616

Acid Dissociation Constant (pKa)

33.22

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K074-0846 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 K074-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K074-0846?
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What is the minimum amount of K074-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K074-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K074-0846
  • 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 K074-0846 available by request