M018-2595 Screening compound: ethyl 1-[5-(5-acetamido-3-ethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonyl]piperidine-4-carboxylate

M018-2595 Screening compound: ethyl 1-[5-(5-acetamido-3-ethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonyl]piperidine-4-carboxylate
M018-2595 Screening compound: ethyl 1-[5-(5-acetamido-3-ethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound M018-2595
ethyl 1-[5-(5-acetamido-3-ethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonyl]piperidine-4-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

M018-2595

Molecular Formula

C22H29N3O7S (C22 H29 N3 O7 S)

Compound Name

ethyl 1-[5-(5-acetamido-3-ethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonyl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[5-(5-acetamido-3-ethyl-12-oxazol-4-yl)-2-methoxybenzenesulfonyl]piperidine-4-carboxylate

SMILES

CCc1noc(NC(C)=O)c1-c(cc1)cc(S(N(CC2)CCC2C(OCC)=O)(=O)=O)c1OC

InChI

InChI=1S/C22H29N3O7S/c1-5-17-20(21(32-24-17)23-14(3)26)16-7-8-18(30-4)19(13-16)33(28,29)25-11-9-15(10-12-25)22(27)31-6-2/h7-8,13,15H,5-6,9-12H2,1-4H3,(H,23,26)

InChI Key

LSCGFGMAVNAMLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27492483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.55

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.228

Distribution Coefficient, logD

2.207

Water Solubility, LogSw

-2.98

Polar Surface Area

106.677

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

M018-2595 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M018-2595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M018-2595?
Check Price and Availability of M018-2595, 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 M018-2595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M018-2595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M018-2595
  • 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 M018-2595 available by request