E684-0627 Screening compound: 1-cyclopropanecarbonyl-2-methyl-5-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,3-dihydro-1H-indole

E684-0627 Screening compound: 1-cyclopropanecarbonyl-2-methyl-5-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,3-dihydro-1H-indole
E684-0627 Screening compound: 1-cyclopropanecarbonyl-2-methyl-5-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound E684-0627
1-cyclopropanecarbonyl-2-methyl-5-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}piperidin-1-yl)sulfonyl]-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

E684-0627

Molecular Formula

C30H35F3N4O4S (C30 H35 F3 N4 O4 S)

Compound Name

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

IUPAC name

1-cyclopropanecarbonyl-2-methyl-5-[(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}piperidin-1-yl)sulfonyl]-23-dihydro-1H-indole

SMILES

CC(C1)N(C(C2CC2)=O)c(cc2)c1cc2S(N(CC1)CCC1C(N(CC1)CCN1c1cc(C(F)(F)F)ccc1)=O)(=O)=O

InChI

InChI=1S/C30H35F3N4O4S/c1-20-17-23-18-26(7-8-27(23)37(20)29(39)21-5-6-21)42(40,41)36-11-9-22(10-12-36)28(38)35-15-13-34(14-16-35)25-4-2-3-24(19-25)30(31,32)33/h2-4,7-8,18-22H,5-6,9-17H2,1H3/t20-/m1/s1

InChI Key

GKYHQWFGQHLBJW-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14909909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

604.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.326

Distribution Coefficient, logD

4.326

Water Solubility, LogSw

-4.37

Polar Surface Area

66.999

Acid Dissociation Constant (pKa)

21.65

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

E684-0627 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E684-0627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E684-0627?
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What is the minimum amount of E684-0627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E684-0627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E684-0627
  • 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 E684-0627 available by request