M018-0099 Screening compound: ethyl 4-[5-(5-acetamido-3-methyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamido]benzoate

M018-0099 Screening compound: ethyl 4-[5-(5-acetamido-3-methyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamido]benzoate
M018-0099 Screening compound: ethyl 4-[5-(5-acetamido-3-methyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M018-0099
ethyl 4-[5-(5-acetamido-3-methyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamido]benzoate

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

M018-0099

Molecular Formula

C22H23N3O6S (C22 H23 N3 O6 S)

Compound Name

ethyl 4-[5-(5-acetamido-3-methyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamido]benzoate

IUPAC name

ethyl 4-[5-(5-acetamido-3-methyl-12-oxazol-4-yl)-2-methylbenzenesulfonamido]benzoate

SMILES

CCOC(c(cc1)ccc1NS(c1c(C)ccc(-c2c(NC(C)=O)onc2C)c1)(=O)=O)=O

InChI

InChI=1S/C22H23N3O6S/c1-5-30-22(27)16-8-10-18(11-9-16)25-32(28,29)19-12-17(7-6-13(19)2)20-14(3)24-31-21(20)23-15(4)26/h6-12,25H,5H2,1-4H3,(H,23,26)

InChI Key

LWTOTTCLRCORNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27492297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.514

Distribution Coefficient, logD

1.909

Water Solubility, LogSw

-3.94

Polar Surface Area

107.297

Acid Dissociation Constant (pKa)

5.81

Base Dissociation Constant (pKb)

-3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

M018-0099 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M018-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M018-0099?
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What is the minimum amount of M018-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M018-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M018-0099
  • 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 M018-0099 available by request