V002-1194 Screening compound: 2-[(3,4-dimethoxyphenyl)methyl]-1-(2,4-dimethylphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine

V002-1194 Screening compound: 2-[(3,4-dimethoxyphenyl)methyl]-1-(2,4-dimethylphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine
V002-1194 Screening compound: 2-[(3,4-dimethoxyphenyl)methyl]-1-(2,4-dimethylphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1194
2-[(3,4-dimethoxyphenyl)methyl]-1-(2,4-dimethylphenyl)-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

V002-1194

Molecular Formula

C25H30N2O2 (C25 H30 N2 O2)

Compound Name

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

IUPAC name

2-[(34-dimethoxyphenyl)methyl]-1-(24-dimethylphenyl)-1H2H3H4H5H-pyrrolo[12-a][14]diazepine

SMILES

Cc1cc(C)c(C2N(Cc(cc3)cc(OC)c3OC)CCCn3c2ccc3)cc1

InChI

InChI=1S/C25H30N2O2/c1-18-8-10-21(19(2)15-18)25-22-7-5-12-26(22)13-6-14-27(25)17-20-9-11-23(28-3)24(16-20)29-4/h5,7-12,15-16,25H,6,13-14,17H2,1-4H3/t25-/m1/s1

InChI Key

SGVQCTVVIAOQPX-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19888532

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.164

Distribution Coefficient, logD

4.679

Water Solubility, LogSw

-4.97

Polar Surface Area

21.203

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

7.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

V002-1194 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 V002-1194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1194?
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What is the minimum amount of V002-1194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1194
  • 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 V002-1194 available by request