E684-0720 Screening compound: 1-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(2,5-diethoxyphenyl)piperidine-4-carboxamide

E684-0720 Screening compound: 1-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(2,5-diethoxyphenyl)piperidine-4-carboxamide
E684-0720 Screening compound: 1-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(2,5-diethoxyphenyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E684-0720
1-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(2,5-diethoxyphenyl)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

E684-0720

Molecular Formula

C29H37N3O6S (C29 H37 N3 O6 S)

Compound Name

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

IUPAC name

1-[(1-cyclopropanecarbonyl-2-methyl-23-dihydro-1H-indol-5-yl)sulfonyl]-N-(25-diethoxyphenyl)piperidine-4-carboxamide

SMILES

CCOc(cc1)cc(NC(C(CC2)CCN2S(c(cc2)cc(CC3C)c2N3C(C2CC2)=O)(=O)=O)=O)c1OCC

InChI

InChI=1S/C29H37N3O6S/c1-4-37-23-8-11-27(38-5-2)25(18-23)30-28(33)20-12-14-31(15-13-20)39(35,36)24-9-10-26-22(17-24)16-19(3)32(26)29(34)21-6-7-21/h8-11,17-21H,4-7,12-16H2,1-3H3,(H,30,33)/t19-/m1/s1

InChI Key

KFVIBZZUBSTHFM-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14909938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.7

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.079

Distribution Coefficient, logD

4.077

Water Solubility, LogSw

-4.20

Polar Surface Area

83.817

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.70

E684-0720 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 E684-0720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E684-0720?
Check Price and Availability of E684-0720, 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 E684-0720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E684-0720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E684-0720
  • 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 E684-0720 available by request