V029-0657 Screening compound: 2-[(2,5-dimethoxyphenyl)methyl]-1-(3-methylphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine

V029-0657 Screening compound: 2-[(2,5-dimethoxyphenyl)methyl]-1-(3-methylphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine
V029-0657 Screening compound: 2-[(2,5-dimethoxyphenyl)methyl]-1-(3-methylphenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0657
2-[(2,5-dimethoxyphenyl)methyl]-1-(3-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

V029-0657

Molecular Formula

C24H28N2O2 (C24 H28 N2 O2)

Compound Name

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

IUPAC name

2-[(25-dimethoxyphenyl)methyl]-1-(3-methylphenyl)-1H2H3H4H5H-pyrrolo[12-a][14]diazepine

SMILES

Cc1cccc(C2N(Cc(cc(cc3)OC)c3OC)CCCn3c2ccc3)c1

InChI

InChI=1S/C24H28N2O2/c1-18-7-4-8-19(15-18)24-22-9-5-12-25(22)13-6-14-26(24)17-20-16-21(27-2)10-11-23(20)28-3/h4-5,7-12,15-16,24H,6,13-14,17H2,1-3H3/t24-/m1/s1

InChI Key

BUWRMNZAFSEUCS-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19888504

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

376.5

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

5.114

Distribution Coefficient, logD

4.428

Water Solubility, LogSw

-5.07

Polar Surface Area

21.116

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V029-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0657?
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What is the minimum amount of V029-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0657
  • 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 V029-0657 available by request