T813-0223 Screening compound: ethyl 1-{[5-(3-methoxyphenyl)-4-isoxazolyl]methyl}-2-piperidinecarboxylate

T813-0223 Screening compound: ethyl 1-{[5-(3-methoxyphenyl)-4-isoxazolyl]methyl}-2-piperidinecarboxylate
T813-0223 Screening compound: ethyl 1-{[5-(3-methoxyphenyl)-4-isoxazolyl]methyl}-2-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound T813-0223
ethyl 1-{[5-(3-methoxyphenyl)-4-isoxazolyl]methyl}-2-piperidinecarboxylate

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

T813-0223

Molecular Formula

C19H24N2O4 (C19 H24 N2 O4)

Compound Name

ethyl 1-{[5-(3-methoxyphenyl)-4-isoxazolyl]methyl}-2-piperidinecarboxylate

IUPAC name

ethyl 1-{[5-(3-methoxyphenyl)-12-oxazol-4-yl]methyl}piperidine-2-carboxylate

SMILES

CCOC(C1N(Cc2c(-c3cc(OC)ccc3)onc2)CCCC1)=O

InChI

InChI=1S/C19H24N2O4/c1-3-24-19(22)17-9-4-5-10-21(17)13-15-12-20-25-18(15)14-7-6-8-16(11-14)23-2/h6-8,11-12,17H,3-5,9-10,13H2,1-2H3/t17-/m0/s1

InChI Key

IFJJTFJKXJJVKY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27623707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.073

Distribution Coefficient, logD

2.882

Water Solubility, LogSw

-3.01

Polar Surface Area

54.320

Acid Dissociation Constant (pKa)

21.48

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

T813-0223 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T813-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T813-0223?
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What is the minimum amount of T813-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T813-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T813-0223
  • 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 T813-0223 available by request