J079-0991 Screening compound: 4-[(4-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-7-methyl-2H-chromen-2-one

J079-0991 Screening compound: 4-[(4-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-7-methyl-2H-chromen-2-one
J079-0991 Screening compound: 4-[(4-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-7-methyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J079-0991
4-[(4-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-7-methyl-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

J079-0991

Molecular Formula

C26H26ClN3O3 (C26 H26 ClN3 O3)

Compound Name

4-[(4-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-7-methyl-2H-chromen-2-one

IUPAC name

4-[(4-{[2-(2-chlorophenyl)-5-methyl-13-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-7-methyl-2H-chromen-2-one

SMILES

Cc1c(CN2CCN(CC(c(ccc(C)c3)c3O3)=CC3=O)CC2)nc(-c(cccc2)c2Cl)o1

InChI

InChI=1S/C26H26ClN3O3/c1-17-7-8-20-19(14-25(31)33-24(20)13-17)15-29-9-11-30(12-10-29)16-23-18(2)32-26(28-23)21-5-3-4-6-22(21)27/h3-8,13-14H,9-12,15-16H2,1-2H3

InChI Key

BNCAHVKQKBGTAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09779957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.101

Distribution Coefficient, logD

4.079

Water Solubility, LogSw

-4.44

Polar Surface Area

46.041

Acid Dissociation Constant (pKa)

28.29

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with J079-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J079-0991?
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What is the minimum amount of J079-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J079-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J079-0991
  • 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 J079-0991 available by request