J079-0781 Screening compound: 4-[(4-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-6-ethyl-2H-chromen-2-one

J079-0781 Screening compound: 4-[(4-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-6-ethyl-2H-chromen-2-one
J079-0781 Screening compound: 4-[(4-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-6-ethyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J079-0781
4-[(4-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-6-ethyl-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

J079-0781

Molecular Formula

C27H28ClN3O3 (C27 H28 ClN3 O3)

Compound Name

4-[(4-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-6-ethyl-2H-chromen-2-one

IUPAC name

4-[(4-{[2-(2-chlorophenyl)-5-methyl-13-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-6-ethyl-2H-chromen-2-one

SMILES

CCc(cc1)cc(C(CN2CCN(Cc3c(C)oc(-c(cccc4)c4Cl)n3)CC2)=C2)c1OC2=O

InChI

InChI=1S/C27H28ClN3O3/c1-3-19-8-9-25-22(14-19)20(15-26(32)34-25)16-30-10-12-31(13-11-30)17-24-18(2)33-27(29-24)21-6-4-5-7-23(21)28/h4-9,14-15H,3,10-13,16-17H2,1-2H3

InChI Key

UJGMJYFRXMZQFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09780262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.438

Distribution Coefficient, logD

4.333

Water Solubility, LogSw

-4.61

Polar Surface Area

46.041

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

J079-0781 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 J079-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J079-0781?
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What is the minimum amount of J079-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J079-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J079-0781
  • 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 J079-0781 available by request