4299-1857 Screening compound: methyl (5E)-5-({5-[(4-bromobenzenesulfonamido)methyl]furan-2-yl}methylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

4299-1857 Screening compound: methyl (5E)-5-({5-[(4-bromobenzenesulfonamido)methyl]furan-2-yl}methylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
4299-1857 Screening compound: methyl (5E)-5-({5-[(4-bromobenzenesulfonamido)methyl]furan-2-yl}methylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4299-1857
methyl (5E)-5-({5-[(4-bromobenzenesulfonamido)methyl]furan-2-yl}methylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-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

4299-1857

Molecular Formula

C19H17BrN2O6S (C19 H17 BrN2 O6 S)

Compound Name

methyl (5E)-5-({5-[(4-bromobenzenesulfonamido)methyl]furan-2-yl}methylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

methyl (5E)-5-({5-[(4-bromobenzenesulfonamido)methyl]furan-2-yl}methylidene)-2-methyl-4-oxo-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CC(N/C1=C/c2ccc(CNS(c(cc3)ccc3Br)(=O)=O)o2)=C(C(OC)=O)C1=O

InChI

InChI=1S/C19H17BrN2O6S/c1-11-17(19(24)27-2)18(23)16(22-11)9-13-5-6-14(28-13)10-21-29(25,26)15-7-3-12(20)4-8-15/h3-9,21-22H,10H2,1-2H3

InChI Key

MAFDGXIJCDETFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02640943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.32

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.758

Distribution Coefficient, logD

3.753

Water Solubility, LogSw

-4.10

Polar Surface Area

94.255

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

4299-1857 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4299-1857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4299-1857?
Check Price and Availability of 4299-1857, 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 4299-1857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4299-1857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4299-1857
  • 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 4299-1857 available by request