E647-0280 Screening compound: 1-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

E647-0280 Screening compound: 1-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
E647-0280 Screening compound: 1-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E647-0280
1-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

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

E647-0280

Molecular Formula

C24H29N3O2 (C24 H29 N3 O2)

Compound Name

1-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

IUPAC name

1-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2345-tetrahydro-1H-1-benzazepin-2-one

SMILES

CC(CN(CC1)C(CN(c2c(CCC3)cccc2)C3=O)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C24H29N3O2/c1-18-7-5-10-21(15-18)26-14-13-25(16-19(26)2)24(29)17-27-22-11-4-3-8-20(22)9-6-12-23(27)28/h3-5,7-8,10-11,15,19H,6,9,12-14,16-17H2,1-2H3/t19-/m0/s1

InChI Key

CBKHMLDFLLHQDS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14908709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.066

Distribution Coefficient, logD

4.066

Water Solubility, LogSw

-4.18

Polar Surface Area

34.821

Acid Dissociation Constant (pKa)

22.17

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

E647-0280 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E647-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E647-0280?
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What is the minimum amount of E647-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E647-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E647-0280
  • 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 E647-0280 available by request