E684-0565 Screening compound: 1-cyclopropanecarbonyl-5-({4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2-methyl-2,3-dihydro-1H-indole

E684-0565 Screening compound: 1-cyclopropanecarbonyl-5-({4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2-methyl-2,3-dihydro-1H-indole
E684-0565 Screening compound: 1-cyclopropanecarbonyl-5-({4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2-methyl-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound E684-0565
1-cyclopropanecarbonyl-5-({4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2-methyl-2,3-dihydro-1H-indole

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

E684-0565

Molecular Formula

C29H35FN4O4S (C29 H35 FN4 O4 S)

Compound Name

1-cyclopropanecarbonyl-5-({4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2-methyl-2,3-dihydro-1H-indole

IUPAC name

1-cyclopropanecarbonyl-5-({4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2-methyl-23-dihydro-1H-indole

SMILES

CC(C1)N(C(C2CC2)=O)c(cc2)c1cc2S(N(CC1)CCC1C(N(CC1)CCN1c(cccc1)c1F)=O)(=O)=O

InChI

InChI=1S/C29H35FN4O4S/c1-20-18-23-19-24(8-9-26(23)34(20)29(36)21-6-7-21)39(37,38)33-12-10-22(11-13-33)28(35)32-16-14-31(15-17-32)27-5-3-2-4-25(27)30/h2-5,8-9,19-22H,6-7,10-18H2,1H3/t20-/m1/s1

InChI Key

RZSOMCPKYPAVJV-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14909896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.704

Distribution Coefficient, logD

3.704

Water Solubility, LogSw

-4.06

Polar Surface Area

66.698

Acid Dissociation Constant (pKa)

21.65

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.70

E684-0565 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E684-0565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E684-0565?
Check Price and Availability of E684-0565, 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 E684-0565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E684-0565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E684-0565
  • 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 E684-0565 available by request