L646-0724 Screening compound: 2-methyl-1-(3-methylphenyl)-4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazine

L646-0724 Screening compound: 2-methyl-1-(3-methylphenyl)-4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazine
L646-0724 Screening compound: 2-methyl-1-(3-methylphenyl)-4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L646-0724
2-methyl-1-(3-methylphenyl)-4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazine

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

L646-0724

Molecular Formula

C25H24N4O2S (C25 H24 N4 O2 S)

Compound Name

2-methyl-1-(3-methylphenyl)-4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazine

IUPAC name

2-methyl-1-(3-methylphenyl)-4-[5-(5-phenyl-124-oxadiazol-3-yl)thiophene-2-carbonyl]piperazine

SMILES

CC(CN(CC1)C(c2ccc(-c3noc(-c4ccccc4)n3)s2)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C25H24N4O2S/c1-17-7-6-10-20(15-17)29-14-13-28(16-18(29)2)25(30)22-12-11-21(32-22)23-26-24(31-27-23)19-8-4-3-5-9-19/h3-12,15,18H,13-14,16H2,1-2H3/t18-/m0/s1

InChI Key

ZYYKEKGDKJOREN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27467377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.999

Distribution Coefficient, logD

5.999

Water Solubility, LogSw

-5.51

Polar Surface Area

51.790

Acid Dissociation Constant (pKa)

26.11

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

L646-0724 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 L646-0724 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L646-0724?
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What is the minimum amount of L646-0724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L646-0724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L646-0724
  • 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 L646-0724 available by request