J021-0165 Screening compound: 3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-phenylpropanamide

J021-0165 Screening compound: 3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-phenylpropanamide
J021-0165 Screening compound: 3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-0165
3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-phenylpropanamide

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

J021-0165

Molecular Formula

C20H18N4O3S (C20 H18 N4 O3 S)

Compound Name

3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-phenylpropanamide

IUPAC name

3-(3-{[(5-methyl-13-benzoxazol-2-yl)sulfanyl]methyl}-124-oxadiazol-5-yl)-N-phenylpropanamide

SMILES

Cc(cc1)cc2c1oc(SCc1noc(CCC(Nc3ccccc3)=O)n1)n2

InChI

InChI=1S/C20H18N4O3S/c1-13-7-8-16-15(11-13)22-20(26-16)28-12-17-23-19(27-24-17)10-9-18(25)21-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,21,25)

InChI Key

RSMNXWQFFVFWEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.921

Distribution Coefficient, logD

3.921

Water Solubility, LogSw

-3.88

Polar Surface Area

72.113

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

J021-0165 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J021-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-0165?
Check Price and Availability of J021-0165, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J021-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-0165
  • 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 J021-0165 available by request