E221-0217 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

E221-0217 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide
E221-0217 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E221-0217
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

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

E221-0217

Molecular Formula

C31H39N3O (C31 H39 N3 O)

Compound Name

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

IUPAC name

N-[3-(35-dimethylpiperidin-1-yl)propyl]-4-(2-phenyl-4567-tetrahydro-1H-indol-1-yl)benzamide

SMILES

CC1CN(CCCNC(c(cc2)ccc2-n2c(-c3ccccc3)cc3c2CCCC3)=O)CC(C)C1

InChI

InChI=1S/C31H39N3O/c1-23-19-24(2)22-33(21-23)18-8-17-32-31(35)26-13-15-28(16-14-26)34-29-12-7-6-11-27(29)20-30(34)25-9-4-3-5-10-25/h3-5,9-10,13-16,20,23-24H,6-8,11-12,17-19,21-22H2,1-2H3,(H,32,35)

InChI Key

KNKOWDRRNBMKKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14848913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.67

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.116

Distribution Coefficient, logD

3.569

Water Solubility, LogSw

-5.42

Polar Surface Area

29.671

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

9.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.20

E221-0217 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with E221-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E221-0217?
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What is the minimum amount of E221-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E221-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E221-0217
  • 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 E221-0217 available by request