M952-1122 Screening compound: 1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-3-sulfonamide

M952-1122 Screening compound: 1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-3-sulfonamide
M952-1122 Screening compound: 1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M952-1122
1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-3-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

M952-1122

Molecular Formula

C17H17F3N4O4S (C17 H17 F3 N4 O4 S)

Compound Name

1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-3-sulfonamide

IUPAC name

125-trimethyl-4-(5-methyl-134-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-3-sulfonamide

SMILES

Cc(n(C)c(C)c1S(Nc(cc2)ccc2OC(F)(F)F)(=O)=O)c1-c1nnc(C)o1

InChI

InChI=1S/C17H17F3N4O4S/c1-9-14(16-22-21-11(3)27-16)15(10(2)24(9)4)29(25,26)23-12-5-7-13(8-6-12)28-17(18,19)20/h5-8,23H,1-4H3

InChI Key

CVIGJEFPLUDFOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27557440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.790

Distribution Coefficient, logD

2.768

Water Solubility, LogSw

-3.53

Polar Surface Area

79.347

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

M952-1122 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with M952-1122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M952-1122?
Check Price and Availability of M952-1122, 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 M952-1122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M952-1122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M952-1122
  • 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 M952-1122 available by request