Y600-4165 Screening compound: 3,3,11-trimethyl-10-[2-(4-methylpiperazino)-2-oxoethyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Y600-4165 Screening compound: 3,3,11-trimethyl-10-[2-(4-methylpiperazino)-2-oxoethyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Y600-4165 Screening compound: 3,3,11-trimethyl-10-[2-(4-methylpiperazino)-2-oxoethyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-4165
3,3,11-trimethyl-10-[2-(4-methylpiperazino)-2-oxoethyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-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

Y600-4165

Molecular Formula

C23H32N4O2 (C23 H32 N4 O2)

Compound Name

3,3,11-trimethyl-10-[2-(4-methylpiperazino)-2-oxoethyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

101414-trimethyl-9-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC1N(CC(N2CCN(C)CC2)=O)c(cccc2)c2NC(CC(C)(C)C2)=C1C2=O

InChI

InChI=1S/C23H32N4O2/c1-16-22-18(13-23(2,3)14-20(22)28)24-17-7-5-6-8-19(17)27(16)15-21(29)26-11-9-25(4)10-12-26/h5-8,16,24H,9-15H2,1-4H3/t16-/m0/s1

InChI Key

VVVOIIIJGJLWHT-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.116

Distribution Coefficient, logD

1.907

Water Solubility, LogSw

-2.83

Polar Surface Area

46.312

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.52

Y600-4165 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y600-4165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-4165?
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What is the minimum amount of Y600-4165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-4165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-4165
  • 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 Y600-4165 available by request