V021-3462 Screening compound: 1-(3,5-dimethoxyphenyl)-2-(2-thienylmethyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine

V021-3462 Screening compound: 1-(3,5-dimethoxyphenyl)-2-(2-thienylmethyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
V021-3462 Screening compound: 1-(3,5-dimethoxyphenyl)-2-(2-thienylmethyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-3462
1-(3,5-dimethoxyphenyl)-2-(2-thienylmethyl)-2,3,4,5-tetrahydro-1H-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

V021-3462

Molecular Formula

C21H24N2O2S (C21 H24 N2 O2 S)

Compound Name

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

IUPAC name

1-(35-dimethoxyphenyl)-2-[(thiophen-2-yl)methyl]-1H2H3H4H5H-pyrrolo[12-a][14]diazepine

SMILES

COc1cc(C2N(Cc3cccs3)CCCn3c2ccc3)cc(OC)c1

InChI

InChI=1S/C21H24N2O2S/c1-24-17-12-16(13-18(14-17)25-2)21-20-7-3-8-22(20)9-5-10-23(21)15-19-6-4-11-26-19/h3-4,6-8,11-14,21H,5,9-10,15H2,1-2H3/t21-/m1/s1

InChI Key

VQBAJVKAULIHOZ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19892867

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

368.5

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

4.247

Distribution Coefficient, logD

2.728

Water Solubility, LogSw

-4.24

Polar Surface Area

22.048

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

8.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

V021-3462 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-3462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-3462?
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What is the minimum amount of V021-3462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-3462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-3462
  • 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 V021-3462 available by request