E570-1596 Screening compound: 1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-{[4-(dimethylamino)phenyl]methyl}piperidine-4-carboxamide

E570-1596 Screening compound: 1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-{[4-(dimethylamino)phenyl]methyl}piperidine-4-carboxamide
E570-1596 Screening compound: 1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-{[4-(dimethylamino)phenyl]methyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E570-1596
1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-{[4-(dimethylamino)phenyl]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

E570-1596

Molecular Formula

C26H34N4O4S (C26 H34 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C1)N(C(C)=O)c(cc2)c1cc2S(N(CC1)CCC1C(NCc(cc1)ccc1N(C)C)=O)(=O)=O

InChI

InChI=1S/C26H34N4O4S/c1-18-15-22-16-24(9-10-25(22)30(18)19(2)31)35(33,34)29-13-11-21(12-14-29)26(32)27-17-20-5-7-23(8-6-20)28(3)4/h5-10,16,18,21H,11-15,17H2,1-4H3,(H,27,32)/t18-/m1/s1

InChI Key

QEXUWVZICVRTFF-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14899690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.331

Distribution Coefficient, logD

2.315

Water Solubility, LogSw

-2.90

Polar Surface Area

74.525

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

E570-1596 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E570-1596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E570-1596?
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What is the minimum amount of E570-1596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E570-1596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E570-1596
  • 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 E570-1596 available by request