E570-1418 Screening compound: 1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

E570-1418 Screening compound: 1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
E570-1418 Screening compound: 1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E570-1418
1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[(4-methylphenyl)methyl]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

E570-1418

Molecular Formula

C25H31N3O4S (C25 H31 N3 O4 S)

Compound Name

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

IUPAC name

1-[(1-acetyl-2-methyl-23-dihydro-1H-indol-5-yl)sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

SMILES

CC(C1)N(C(C)=O)c(cc2)c1cc2S(N(CC1)CCC1C(NCc1ccc(C)cc1)=O)(=O)=O

InChI

InChI=1S/C25H31N3O4S/c1-17-4-6-20(7-5-17)16-26-25(30)21-10-12-27(13-11-21)33(31,32)23-8-9-24-22(15-23)14-18(2)28(24)19(3)29/h4-9,15,18,21H,10-14,16H2,1-3H3,(H,26,30)/t18-/m1/s1

InChI Key

YBKAVVCAUDSCSM-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14899638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.6

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

2.664

Distribution Coefficient, logD

2.664

Water Solubility, LogSw

-3.13

Polar Surface Area

71.720

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

E570-1418 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E570-1418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E570-1418?
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What is the minimum amount of E570-1418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E570-1418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E570-1418
  • 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 E570-1418 available by request