F639-0342 Screening compound: methyl 4-{[(3-bromophenyl)methyl]sulfamoyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate

F639-0342 Screening compound: methyl 4-{[(3-bromophenyl)methyl]sulfamoyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate
F639-0342 Screening compound: methyl 4-{[(3-bromophenyl)methyl]sulfamoyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F639-0342
methyl 4-{[(3-bromophenyl)methyl]sulfamoyl}-1,5-dimethyl-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

F639-0342

Molecular Formula

C15H17BrN2O4S (C15 H17 BrN2 O4 S)

Compound Name

methyl 4-{[(3-bromophenyl)methyl]sulfamoyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

methyl 4-{[(3-bromophenyl)methyl]sulfamoyl}-15-dimethyl-1H-pyrrole-2-carboxylate

SMILES

Cc(n(C)c(C(OC)=O)c1)c1S(NCc1cccc(Br)c1)(=O)=O

InChI

InChI=1S/C15H17BrN2O4S/c1-10-14(8-13(18(10)2)15(19)22-3)23(20,21)17-9-11-5-4-6-12(16)7-11/h4-8,17H,9H2,1-3H3

InChI Key

PMHXOLBXCGSWJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27181495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.434

Distribution Coefficient, logD

2.433

Water Solubility, LogSw

-2.85

Polar Surface Area

65.203

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

F639-0342 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F639-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F639-0342?
Check Price and Availability of F639-0342, 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 F639-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F639-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F639-0342
  • 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 F639-0342 available by request