T813-0246 Screening compound: 5-(3-METHOXYPHENYL)-4-[(4-METHYLPIPERIDINO)METHYL]ISOXAZOLE

T813-0246 Screening compound: 5-(3-METHOXYPHENYL)-4-[(4-METHYLPIPERIDINO)METHYL]ISOXAZOLE
T813-0246 Screening compound: 5-(3-METHOXYPHENYL)-4-[(4-METHYLPIPERIDINO)METHYL]ISOXAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound T813-0246
5-(3-METHOXYPHENYL)-4-[(4-METHYLPIPERIDINO)METHYL]ISOXAZOLE

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

T813-0246

Molecular Formula

C17H22N2O2 (C17 H22 N2 O2)

Compound Name

5-(3-METHOXYPHENYL)-4-[(4-METHYLPIPERIDINO)METHYL]ISOXAZOLE

IUPAC name

n/a

SMILES

CC1CCN(Cc2c(-c3cc(OC)ccc3)onc2)CC1

InChI

InChI=1S/C17H22N2O2/c1-13-6-8-19(9-7-13)12-15-11-18-21-17(15)14-4-3-5-16(10-14)20-2/h3-5,10-11,13H,6-9,12H2,1-2H3

InChI Key

CFXGCXSTQOUQNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27623713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.199

Distribution Coefficient, logD

1.080

Water Solubility, LogSw

-3.17

Polar Surface Area

33.706

Acid Dissociation Constant (pKa)

24.58

Base Dissociation Constant (pKb)

9.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

T813-0246 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with T813-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T813-0246?
Check Price and Availability of T813-0246, 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 T813-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T813-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T813-0246
  • 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 T813-0246 available by request