E570-4687 Screening compound: 1-{[1-(cyclopropylcarbonyl)-2-methyl-2,3-dihydro-1H-indol-5-yl]sulfonyl}-N-(2-methoxyethyl)-3-piperidinecarboxamide

E570-4687 Screening compound: 1-{[1-(cyclopropylcarbonyl)-2-methyl-2,3-dihydro-1H-indol-5-yl]sulfonyl}-N-(2-methoxyethyl)-3-piperidinecarboxamide
E570-4687 Screening compound: 1-{[1-(cyclopropylcarbonyl)-2-methyl-2,3-dihydro-1H-indol-5-yl]sulfonyl}-N-(2-methoxyethyl)-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E570-4687
1-{[1-(cyclopropylcarbonyl)-2-methyl-2,3-dihydro-1H-indol-5-yl]sulfonyl}-N-(2-methoxyethyl)-3-piperidinecarboxamide

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

E570-4687

Molecular Formula

C22H31N3O5S (C22 H31 N3 O5 S)

Compound Name

1-{[1-(cyclopropylcarbonyl)-2-methyl-2,3-dihydro-1H-indol-5-yl]sulfonyl}-N-(2-methoxyethyl)-3-piperidinecarboxamide

IUPAC name

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

SMILES

CC(C1)N(C(C2CC2)=O)c(cc2)c1cc2S(N(CCC1)CC1C(NCCOC)=O)(=O)=O

InChI

InChI=1S/C22H31N3O5S/c1-15-12-18-13-19(7-8-20(18)25(15)22(27)16-5-6-16)31(28,29)24-10-3-4-17(14-24)21(26)23-9-11-30-2/h7-8,13,15-17H,3-6,9-12,14H2,1-2H3,(H,23,26)

InChI Key

XBDLVJDWYHIRAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.626

Distribution Coefficient, logD

1.626

Water Solubility, LogSw

-2.58

Polar Surface Area

79.893

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.64

E570-4687 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with E570-4687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E570-4687?
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What is the minimum amount of E570-4687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E570-4687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E570-4687
  • 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 E570-4687 available by request