V018-7406 Screening compound: 1-(3,4-dimethoxyphenyl)-2-[(2-methoxyphenyl)methyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine

V018-7406 Screening compound: 1-(3,4-dimethoxyphenyl)-2-[(2-methoxyphenyl)methyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine
V018-7406 Screening compound: 1-(3,4-dimethoxyphenyl)-2-[(2-methoxyphenyl)methyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-7406
1-(3,4-dimethoxyphenyl)-2-[(2-methoxyphenyl)methyl]-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

V018-7406

Molecular Formula

C24H28N2O3 (C24 H28 N2 O3)

Compound Name

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

IUPAC name

1-(34-dimethoxyphenyl)-2-[(2-methoxyphenyl)methyl]-1H2H3H4H5H-pyrrolo[12-a][14]diazepine

SMILES

COc1c(CN(CCCn2c3ccc2)C3c(cc2)cc(OC)c2OC)cccc1

InChI

InChI=1S/C24H28N2O3/c1-27-21-10-5-4-8-19(21)17-26-15-7-14-25-13-6-9-20(25)24(26)18-11-12-22(28-2)23(16-18)29-3/h4-6,8-13,16,24H,7,14-15,17H2,1-3H3/t24-/m1/s1

InChI Key

MNAJRJQJUNQNFF-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19888175

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.260

Distribution Coefficient, logD

3.952

Water Solubility, LogSw

-4.29

Polar Surface Area

28.833

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

7.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V018-7406 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 V018-7406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-7406?
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What is the minimum amount of V018-7406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-7406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-7406
  • 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 V018-7406 available by request