F639-0179 Screening compound: methyl 1,5-dimethyl-4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate

F639-0179 Screening compound: methyl 1,5-dimethyl-4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate
F639-0179 Screening compound: methyl 1,5-dimethyl-4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F639-0179
methyl 1,5-dimethyl-4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate

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

F639-0179

Molecular Formula

C16H21N3O6S2 (C16 H21 N3 O6 S2)

Compound Name

methyl 1,5-dimethyl-4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate

IUPAC name

methyl 15-dimethyl-4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate

SMILES

Cc(n(C)c(C(OC)=O)c1)c1S(NCCc(cc1)ccc1S(N)(=O)=O)(=O)=O

InChI

InChI=1S/C16H21N3O6S2/c1-11-15(10-14(19(11)2)16(20)25-3)27(23,24)18-9-8-12-4-6-13(7-5-12)26(17,21)22/h4-7,10,18H,8-9H2,1-3H3,(H2,17,21,22)

InChI Key

VOYTWKMSWSUVSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27181453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.208

Distribution Coefficient, logD

0.207

Water Solubility, LogSw

-2.28

Polar Surface Area

115.648

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

F639-0179 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F639-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F639-0179?
Check Price and Availability of F639-0179, 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 F639-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F639-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F639-0179
  • 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 F639-0179 available by request