T813-0241 Screening compound: 1-{[5-(3-methoxyphenyl)-1,2-oxazol-4-yl]methyl}-4-propylpiperazine

T813-0241 Screening compound: 1-{[5-(3-methoxyphenyl)-1,2-oxazol-4-yl]methyl}-4-propylpiperazine
T813-0241 Screening compound: 1-{[5-(3-methoxyphenyl)-1,2-oxazol-4-yl]methyl}-4-propylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound T813-0241
1-{[5-(3-methoxyphenyl)-1,2-oxazol-4-yl]methyl}-4-propylpiperazine

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

T813-0241

Molecular Formula

C18H25N3O2 (C18 H25 N3 O2)

Compound Name

1-{[5-(3-methoxyphenyl)-1,2-oxazol-4-yl]methyl}-4-propylpiperazine

IUPAC name

1-{[5-(3-methoxyphenyl)-12-oxazol-4-yl]methyl}-4-propylpiperazine

SMILES

CCCN1CCN(Cc2c(-c3cc(OC)ccc3)onc2)CC1

InChI

InChI=1S/C18H25N3O2/c1-3-7-20-8-10-21(11-9-20)14-16-13-19-23-18(16)15-5-4-6-17(12-15)22-2/h4-6,12-13H,3,7-11,14H2,1-2H3

InChI Key

DHMGWOQWQBRKOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27623710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.427

Distribution Coefficient, logD

1.479

Water Solubility, LogSw

-2.42

Polar Surface Area

37.497

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

T813-0241 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with T813-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T813-0241?
Check Price and Availability of T813-0241, 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 T813-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T813-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T813-0241
  • 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 T813-0241 available by request