4921-0062 Screening compound: 2-({5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(4-methylphenyl)acetamide

4921-0062 Screening compound: 2-({5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(4-methylphenyl)acetamide
4921-0062 Screening compound: 2-({5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4921-0062
2-({5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(4-methylphenyl)acetamide

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

4921-0062

Molecular Formula

C22H25N3O3S (C22 H25 N3 O3 S)

Compound Name

2-({5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(4-methylphenyl)acetamide

IUPAC name

2-({5-[3-(4-methoxy-3-methylphenyl)propyl]-134-oxadiazol-2-yl}sulfanyl)-N-(4-methylphenyl)acetamide

SMILES

Cc(cc1)ccc1NC(CSc1nnc(CCCc(cc2)cc(C)c2OC)o1)=O

InChI

InChI=1S/C22H25N3O3S/c1-15-7-10-18(11-8-15)23-20(26)14-29-22-25-24-21(28-22)6-4-5-17-9-12-19(27-3)16(2)13-17/h7-13H,4-6,14H2,1-3H3,(H,23,26)

InChI Key

RVBHINOVWQCHCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04086058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.767

Distribution Coefficient, logD

4.767

Water Solubility, LogSw

-4.60

Polar Surface Area

60.510

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

4921-0062 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4921-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4921-0062?
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What is the minimum amount of 4921-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4921-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4921-0062
  • 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 4921-0062 available by request