M090-0129 Screening compound: 1-({2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)-4-(pyridin-2-yl)piperazine

M090-0129 Screening compound: 1-({2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)-4-(pyridin-2-yl)piperazine
M090-0129 Screening compound: 1-({2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound M090-0129
1-({2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)-4-(pyridin-2-yl)piperazine

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

M090-0129

Molecular Formula

C19H19F3N4O3S2 (C19 H19 F3 N4 O3 S2)

Compound Name

1-({2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)-4-(pyridin-2-yl)piperazine

IUPAC name

1-({25-dimethyl-4-[5-(trifluoromethyl)-12-oxazol-3-yl]thiophen-3-yl}sulfonyl)-4-(pyridin-2-yl)piperazine

SMILES

Cc1c(-c2noc(C(F)(F)F)c2)c(S(N(CC2)CCN2c2ncccc2)(=O)=O)c(C)s1

InChI

InChI=1S/C19H19F3N4O3S2/c1-12-17(14-11-15(29-24-14)19(20,21)22)18(13(2)30-12)31(27,28)26-9-7-25(8-10-26)16-5-3-4-6-23-16/h3-6,11H,7-10H2,1-2H3

InChI Key

YZGQTSYCGHGGMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27496629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.275

Distribution Coefficient, logD

4.251

Water Solubility, LogSw

-4.38

Polar Surface Area

66.275

Acid Dissociation Constant (pKa)

24.57

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

M090-0129 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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)

Epigenetics Focused Set (26518 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 M090-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M090-0129?
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What is the minimum amount of M090-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M090-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M090-0129
  • 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 M090-0129 available by request