M952-1043 Screening compound: ethyl 3-[1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrole-3-sulfonamido]benzoate

M952-1043 Screening compound: ethyl 3-[1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrole-3-sulfonamido]benzoate
M952-1043 Screening compound: ethyl 3-[1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrole-3-sulfonamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M952-1043
ethyl 3-[1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrole-3-sulfonamido]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

M952-1043

Molecular Formula

C19H22N4O5S (C19 H22 N4 O5 S)

Compound Name

ethyl 3-[1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrole-3-sulfonamido]benzoate

IUPAC name

ethyl 3-[125-trimethyl-4-(5-methyl-134-oxadiazol-2-yl)-1H-pyrrole-3-sulfonamido]benzoate

SMILES

CCOC(c1cccc(NS(c2c(C)n(C)c(C)c2-c2nnc(C)o2)(=O)=O)c1)=O

InChI

InChI=1S/C19H22N4O5S/c1-6-27-19(24)14-8-7-9-15(10-14)22-29(25,26)17-12(3)23(5)11(2)16(17)18-21-20-13(4)28-18/h7-10,22H,6H2,1-5H3

InChI Key

CVIKGZVFMQRLHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27557391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.347

Distribution Coefficient, logD

2.310

Water Solubility, LogSw

-2.94

Polar Surface Area

94.164

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

M952-1043 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M952-1043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M952-1043?
Check Price and Availability of M952-1043, 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 M952-1043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M952-1043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M952-1043
  • 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 M952-1043 available by request