V023-5153 Screening compound: (3,4-dichlorophenyl)(2-{[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl}morpholino)methanone

V023-5153 Screening compound: (3,4-dichlorophenyl)(2-{[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl}morpholino)methanone
V023-5153 Screening compound: (3,4-dichlorophenyl)(2-{[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl}morpholino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-5153
(3,4-dichlorophenyl)(2-{[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl}morpholino)methanone

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

V023-5153

Molecular Formula

C25H29Cl2N3O4 (C25 H29 Cl2 N3 O4)

Compound Name

(3,4-dichlorophenyl)(2-{[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl}morpholino)methanone

IUPAC name

1-{[4-(34-dichlorobenzoyl)morpholin-2-yl]methyl}-4-(3-methoxybenzoyl)-14-diazepane

SMILES

COc1cccc(C(N2CCN(CC(C3)OCCN3C(c(cc3)cc(Cl)c3Cl)=O)CCC2)=O)c1

InChI

InChI=1S/C25H29Cl2N3O4/c1-33-20-5-2-4-18(14-20)24(31)29-9-3-8-28(10-11-29)16-21-17-30(12-13-34-21)25(32)19-6-7-22(26)23(27)15-19/h2,4-7,14-15,21H,3,8-13,16-17H2,1H3/t21-/m0/s1

InChI Key

ITVDYCRSDCZFSV-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19918793

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

506.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.984

Distribution Coefficient, logD

2.941

Water Solubility, LogSw

-3.51

Polar Surface Area

52.980

Acid Dissociation Constant (pKa)

26.61

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

V023-5153 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V023-5153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-5153?
Check Price and Availability of V023-5153, 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 V023-5153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-5153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-5153
  • 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 V023-5153 available by request