E221-1191 Screening compound: N-[(2-bromophenyl)methyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

E221-1191 Screening compound: N-[(2-bromophenyl)methyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide
E221-1191 Screening compound: N-[(2-bromophenyl)methyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E221-1191
N-[(2-bromophenyl)methyl]-4-(5-methyl-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

E221-1191

Molecular Formula

C29H27BrN2O (C29 H27 BrN2 O)

Compound Name

N-[(2-bromophenyl)methyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

IUPAC name

N-[(2-bromophenyl)methyl]-4-(5-methyl-2-phenyl-4567-tetrahydro-1H-indol-1-yl)benzamide

SMILES

CC(CC1)Cc(cc2-c3ccccc3)c1n2-c(cc1)ccc1C(NCc(cccc1)c1Br)=O

InChI

InChI=1S/C29H27BrN2O/c1-20-11-16-27-24(17-20)18-28(21-7-3-2-4-8-21)32(27)25-14-12-22(13-15-25)29(33)31-19-23-9-5-6-10-26(23)30/h2-10,12-15,18,20H,11,16-17,19H2,1H3,(H,31,33)/t20-/m1/s1

InChI Key

WCKCWGOZSLCZSJ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14848970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.305

Distribution Coefficient, logD

7.305

Water Solubility, LogSw

-5.74

Polar Surface Area

25.980

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with E221-1191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E221-1191?
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What is the minimum amount of E221-1191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E221-1191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E221-1191
  • 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 E221-1191 available by request