L464-0545 Screening compound: ethyl 1-{[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}piperidine-3-carboxylate

L464-0545 Screening compound: ethyl 1-{[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}piperidine-3-carboxylate
L464-0545 Screening compound: ethyl 1-{[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L464-0545
ethyl 1-{[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}piperidine-3-carboxylate

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

L464-0545

Molecular Formula

C17H22N2O5S2 (C17 H22 N2 O5 S2)

Compound Name

ethyl 1-{[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}piperidine-3-carboxylate

IUPAC name

ethyl 1-{[5-(34-dimethyl-12-oxazol-5-yl)thiophen-2-yl]sulfonyl}piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1S(c1ccc(-c2c(C)c(C)no2)s1)(=O)=O)=O

InChI

InChI=1S/C17H22N2O5S2/c1-4-23-17(20)13-6-5-9-19(10-13)26(21,22)15-8-7-14(25-15)16-11(2)12(3)18-24-16/h7-8,13H,4-6,9-10H2,1-3H3/t13-/m0/s1

InChI Key

BDIMBBUPCOTBME-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27254570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.156

Distribution Coefficient, logD

3.156

Water Solubility, LogSw

-3.15

Polar Surface Area

76.000

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

L464-0545 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L464-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L464-0545?
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What is the minimum amount of L464-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L464-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L464-0545
  • 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 L464-0545 available by request