V023-3509 Screening compound: 2-[(3-chlorophenyl)methyl]-1-(3-phenoxyphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine

V023-3509 Screening compound: 2-[(3-chlorophenyl)methyl]-1-(3-phenoxyphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine
V023-3509 Screening compound: 2-[(3-chlorophenyl)methyl]-1-(3-phenoxyphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-3509
2-[(3-chlorophenyl)methyl]-1-(3-phenoxyphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine

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

V023-3509

Molecular Formula

C27H25ClN2O (C27 H25 ClN2 O)

Compound Name

2-[(3-chlorophenyl)methyl]-1-(3-phenoxyphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine

IUPAC name

2-[(3-chlorophenyl)methyl]-1-(3-phenoxyphenyl)-1H2H3H4H5H-pyrrolo[12-a][14]diazepine

SMILES

Clc1cc(CN(CCCn2c3ccc2)C3c2cc(Oc3ccccc3)ccc2)ccc1

InChI

InChI=1S/C27H25ClN2O/c28-23-10-4-8-21(18-23)20-30-17-7-16-29-15-6-14-26(29)27(30)22-9-5-13-25(19-22)31-24-11-2-1-3-12-24/h1-6,8-15,18-19,27H,7,16-17,20H2/t27-/m1/s1

InChI Key

UMQIIRGGOJFWIZ-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19888265

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

428.96

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.810

Distribution Coefficient, logD

6.772

Water Solubility, LogSw

-6.64

Polar Surface Area

12.690

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

V023-3509 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 V023-3509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-3509?
Check Price and Availability of V023-3509, 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 V023-3509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-3509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-3509
  • 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 V023-3509 available by request