E594-0217 Screening compound: 6-chloro-3-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}-2H-chromen-2-one

E594-0217 Screening compound: 6-chloro-3-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}-2H-chromen-2-one
E594-0217 Screening compound: 6-chloro-3-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E594-0217
6-chloro-3-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}-2H-chromen-2-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

E594-0217

Molecular Formula

C19H14ClN3O3 (C19 H14 ClN3 O3)

Compound Name

6-chloro-3-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}-2H-chromen-2-one

IUPAC name

6-chloro-3-{3-[4-(dimethylamino)phenyl]-124-oxadiazol-5-yl}-2H-chromen-2-one

SMILES

CN(C)c(cc1)ccc1-c1noc(C2=Cc(cc(cc3)Cl)c3OC2=O)n1

InChI

InChI=1S/C19H14ClN3O3/c1-23(2)14-6-3-11(4-7-14)17-21-18(26-22-17)15-10-12-9-13(20)5-8-16(12)25-19(15)24/h3-10H,1-2H3

InChI Key

CXTDRMJPGUNSSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.525

Distribution Coefficient, logD

4.525

Water Solubility, LogSw

-4.85

Polar Surface Area

55.371

Acid Dissociation Constant (pKa)

30.86

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with E594-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E594-0217?
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What is the minimum amount of E594-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E594-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E594-0217
  • 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 E594-0217 available by request