T813-0435 Screening compound: 1-(4-{[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl}piperazin-1-yl)ethan-1-one

T813-0435 Screening compound: 1-(4-{[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl}piperazin-1-yl)ethan-1-one
T813-0435 Screening compound: 1-(4-{[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl}piperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T813-0435
1-(4-{[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl}piperazin-1-yl)ethan-1-one

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

T813-0435

Molecular Formula

C17H21N3O2 (C17 H21 N3 O2)

Compound Name

1-(4-{[5-(3-methylphenyl)-1,2-oxazol-4-yl]methyl}piperazin-1-yl)ethan-1-one

IUPAC name

1-(4-{[5-(3-methylphenyl)-12-oxazol-4-yl]methyl}piperazin-1-yl)ethan-1-one

SMILES

CC(N1CCN(Cc2c(-c3cc(C)ccc3)onc2)CC1)=O

InChI

InChI=1S/C17H21N3O2/c1-13-4-3-5-15(10-13)17-16(11-18-22-17)12-19-6-8-20(9-7-19)14(2)21/h3-5,10-11H,6-9,12H2,1-2H3

InChI Key

BZNLWDLRJWMCNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27623720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.748

Distribution Coefficient, logD

1.669

Water Solubility, LogSw

-1.99

Polar Surface Area

43.358

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

T813-0435 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T813-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T813-0435?
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What is the minimum amount of T813-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T813-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T813-0435
  • 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 T813-0435 available by request