M022-1228 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(propan-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide

M022-1228 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(propan-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
M022-1228 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(propan-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M022-1228
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(propan-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide

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

M022-1228

Molecular Formula

C18H18N2O4S3 (C18 H18 N2 O4 S3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(propan-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-[4-(propan-2-yl)-13-thiazol-2-yl]thiophene-2-sulfonamide

SMILES

CC(C)c1csc(-c2csc(S(NCc(cc3)cc4c3OCO4)(=O)=O)c2)n1

InChI

InChI=1S/C18H18N2O4S3/c1-11(2)14-9-26-18(20-14)13-6-17(25-8-13)27(21,22)19-7-12-3-4-15-16(5-12)24-10-23-15/h3-6,8-9,11,19H,7,10H2,1-2H3

InChI Key

UZTGFTWQRZOZNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27493041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.634

Distribution Coefficient, logD

4.633

Water Solubility, LogSw

-4.43

Polar Surface Area

69.864

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

M022-1228 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M022-1228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M022-1228?
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What is the minimum amount of M022-1228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M022-1228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M022-1228
  • 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 M022-1228 available by request