E684-0699 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-1-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide

E684-0699 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-1-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperidine-4-carboxamide
E684-0699 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-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 E684-0699
N-(5-chloro-2,4-dimethoxyphenyl)-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

E684-0699

Molecular Formula

C27H32ClN3O6S (C27 H32 ClN3 O6 S)

Compound Name

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

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-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(c(OC)c1)cc(Cl)c1OC)=O)(=O)=O

InChI

InChI=1S/C27H32ClN3O6S/c1-16-12-19-13-20(6-7-23(19)31(16)27(33)18-4-5-18)38(34,35)30-10-8-17(9-11-30)26(32)29-22-14-21(28)24(36-2)15-25(22)37-3/h6-7,13-18H,4-5,8-12H2,1-3H3,(H,29,32)/t16-/m1/s1

InChI Key

CGAOEGMYNWYCHY-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14909928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.09

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.886

Distribution Coefficient, logD

3.847

Water Solubility, LogSw

-4.32

Polar Surface Area

84.744

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

E684-0699 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 E684-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E684-0699?
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What is the minimum amount of E684-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E684-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E684-0699
  • 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 E684-0699 available by request