E699-2554 Screening compound: 3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[(4-chlorophenyl)methyl]propanamide

E699-2554 Screening compound: 3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[(4-chlorophenyl)methyl]propanamide
E699-2554 Screening compound: 3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[(4-chlorophenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E699-2554
3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[(4-chlorophenyl)methyl]propanamide

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

E699-2554

Molecular Formula

C20H21ClN2O4S (C20 H21 ClN2 O4 S)

Compound Name

3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[(4-chlorophenyl)methyl]propanamide

IUPAC name

n/a

SMILES

CC(N(CC1)c(cc2)c1cc2S(CCC(NCc(cc1)ccc1Cl)=O)(=O)=O)=O

InChI

InChI=1S/C20H21ClN2O4S/c1-14(24)23-10-8-16-12-18(6-7-19(16)23)28(26,27)11-9-20(25)22-13-15-2-4-17(21)5-3-15/h2-7,12H,8-11,13H2,1H3,(H,22,25)

InChI Key

JSMPOLYZDPSMQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14910972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.944

Distribution Coefficient, logD

1.944

Water Solubility, LogSw

-3.07

Polar Surface Area

69.893

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

E699-2554 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 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
  • Pool

References: we are preparing a list of scientific research reports with E699-2554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E699-2554?
Check Price and Availability of E699-2554, 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 E699-2554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E699-2554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E699-2554
  • 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 E699-2554 available by request