M057-2417 Screening compound: 4-(propan-2-yl)-2-(1H-pyrrol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide

M057-2417 Screening compound: 4-(propan-2-yl)-2-(1H-pyrrol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
M057-2417 Screening compound: 4-(propan-2-yl)-2-(1H-pyrrol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M057-2417
4-(propan-2-yl)-2-(1H-pyrrol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide

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

M057-2417

Molecular Formula

C19H22N4O3S2 (C19 H22 N4 O3 S2)

Compound Name

4-(propan-2-yl)-2-(1H-pyrrol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide

IUPAC name

4-(propan-2-yl)-2-(1H-pyrrol-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-13-thiazole-5-carboxamide

SMILES

CC(C)c1c(C(NCCc(cc2)ccc2S(N)(=O)=O)=O)sc(-n2cccc2)n1

InChI

InChI=1S/C19H22N4O3S2/c1-13(2)16-17(27-19(22-16)23-11-3-4-12-23)18(24)21-10-9-14-5-7-15(8-6-14)28(20,25)26/h3-8,11-13H,9-10H2,1-2H3,(H,21,24)(H2,20,25,26)

InChI Key

PETJTENIGGMVIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27642927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.067

Distribution Coefficient, logD

3.058

Water Solubility, LogSw

-3.56

Polar Surface Area

89.673

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

M057-2417 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Carbonic Anhydrase II Library (4939 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M057-2417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M057-2417?
Check Price and Availability of M057-2417, 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 M057-2417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M057-2417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M057-2417
  • 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 M057-2417 available by request