V005-5342 Screening compound: 2-[(4-ethoxyphenyl)methyl]-1-(4-methylphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine

V005-5342 Screening compound: 2-[(4-ethoxyphenyl)methyl]-1-(4-methylphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine
V005-5342 Screening compound: 2-[(4-ethoxyphenyl)methyl]-1-(4-methylphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-5342
2-[(4-ethoxyphenyl)methyl]-1-(4-methylphenyl)-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

V005-5342

Molecular Formula

C24H28N2O (C24 H28 N2 O)

Compound Name

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

IUPAC name

2-[(4-ethoxyphenyl)methyl]-1-(4-methylphenyl)-1H2H3H4H5H-pyrrolo[12-a][14]diazepine

SMILES

CCOc1ccc(CN(CCCn2c3ccc2)C3c2ccc(C)cc2)cc1

InChI

InChI=1S/C24H28N2O/c1-3-27-22-13-9-20(10-14-22)18-26-17-5-16-25-15-4-6-23(25)24(26)21-11-7-19(2)8-12-21/h4,6-15,24H,3,5,16-18H2,1-2H3/t24-/m1/s1

InChI Key

KMTKZNSYGLPVTA-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19887977

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

360.5

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

5.304

Distribution Coefficient, logD

5.255

Water Solubility, LogSw

-5.20

Polar Surface Area

13.065

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

6.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V005-5342 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V005-5342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-5342?
Check Price and Availability of V005-5342, 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 V005-5342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-5342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-5342
  • 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 V005-5342 available by request