E221-0015 Screening compound: 2-phenyl-1-[4-(pyrrolidine-1-carbonyl)phenyl]-4,5,6,7-tetrahydro-1H-indole

E221-0015 Screening compound: 2-phenyl-1-[4-(pyrrolidine-1-carbonyl)phenyl]-4,5,6,7-tetrahydro-1H-indole
E221-0015 Screening compound: 2-phenyl-1-[4-(pyrrolidine-1-carbonyl)phenyl]-4,5,6,7-tetrahydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound E221-0015
2-phenyl-1-[4-(pyrrolidine-1-carbonyl)phenyl]-4,5,6,7-tetrahydro-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

E221-0015

Molecular Formula

C25H26N2O (C25 H26 N2 O)

Compound Name

2-phenyl-1-[4-(pyrrolidine-1-carbonyl)phenyl]-4,5,6,7-tetrahydro-1H-indole

IUPAC name

2-phenyl-1-[4-(pyrrolidine-1-carbonyl)phenyl]-4567-tetrahydro-1H-indole

SMILES

O=C(c(cc1)ccc1-n1c(-c2ccccc2)cc2c1CCCC2)N1CCCC1

InChI

InChI=1S/C25H26N2O/c28-25(26-16-6-7-17-26)20-12-14-22(15-13-20)27-23-11-5-4-10-21(23)18-24(27)19-8-2-1-3-9-19/h1-3,8-9,12-15,18H,4-7,10-11,16-17H2

InChI Key

OKKTTXKHDHLGND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14848866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.102

Distribution Coefficient, logD

5.102

Water Solubility, LogSw

-5.34

Polar Surface Area

18.581

Acid Dissociation Constant (pKa)

25.87

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

E221-0015 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 E221-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E221-0015?
Check Price and Availability of E221-0015, 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 E221-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E221-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E221-0015
  • 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 E221-0015 available by request