L504-0078 Screening compound: N-(4-bromo-2-fluorophenyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-1H-pyrrole-3-sulfonamide

L504-0078 Screening compound: N-(4-bromo-2-fluorophenyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-1H-pyrrole-3-sulfonamide
L504-0078 Screening compound: N-(4-bromo-2-fluorophenyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-1H-pyrrole-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L504-0078
N-(4-bromo-2-fluorophenyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-1H-pyrrole-3-sulfonamide

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

L504-0078

Molecular Formula

C17H15BrFN5O4S (C17 H15 BrFN5 O4 S)

Compound Name

N-(4-bromo-2-fluorophenyl)-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-1H-pyrrole-3-sulfonamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-5-[5-(pyrrolidine-1-carbonyl)-134-oxadiazol-2-yl]-1H-pyrrole-3-sulfonamide

SMILES

O=C(c1nnc(-c2cc(S(Nc(ccc(Br)c3)c3F)(=O)=O)c[nH]2)o1)N1CCCC1

InChI

InChI=1S/C17H15BrFN5O4S/c18-10-3-4-13(12(19)7-10)23-29(26,27)11-8-14(20-9-11)15-21-22-16(28-15)17(25)24-5-1-2-6-24/h3-4,7-9,20,23H,1-2,5-6H2

InChI Key

XDQZWDAOBRSSGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27458902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.507

Distribution Coefficient, logD

1.463

Water Solubility, LogSw

-2.97

Polar Surface Area

97.876

Acid Dissociation Constant (pKa)

6.40

Base Dissociation Constant (pKb)

-4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

L504-0078 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L504-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L504-0078?
Check Price and Availability of L504-0078, 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 L504-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L504-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L504-0078
  • 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 L504-0078 available by request