E684-0599 Screening compound: N-(3-chloro-4-fluorophenyl)-1-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide

E684-0599 Screening compound: N-(3-chloro-4-fluorophenyl)-1-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide
E684-0599 Screening compound: N-(3-chloro-4-fluorophenyl)-1-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E684-0599
N-(3-chloro-4-fluorophenyl)-1-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperidine-4-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

E684-0599

Molecular Formula

C25H27ClFN3O4S (C25 H27 ClFN3 O4 S)

Compound Name

N-(3-chloro-4-fluorophenyl)-1-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-1-[(1-cyclopropanecarbonyl-2-methyl-23-dihydro-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide

SMILES

CC(C1)N(C(C2CC2)=O)c(cc2)c1cc2S(N(CC1)CCC1C(Nc(cc1)cc(Cl)c1F)=O)(=O)=O

InChI

InChI=1S/C25H27ClFN3O4S/c1-15-12-18-13-20(5-7-23(18)30(15)25(32)17-2-3-17)35(33,34)29-10-8-16(9-11-29)24(31)28-19-4-6-22(27)21(26)14-19/h4-7,13-17H,2-3,8-12H2,1H3,(H,28,31)/t15-/m1/s1

InChI Key

WLJKPTMLNRNEKR-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14909902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.02

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.019

Distribution Coefficient, logD

3.977

Water Solubility, LogSw

-4.40

Polar Surface Area

70.181

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

E684-0599 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E684-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E684-0599?
Check Price and Availability of E684-0599, 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 E684-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E684-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E684-0599
  • 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 E684-0599 available by request