V021-3442 Screening compound: 5-[2-(3-chlorobenzyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-yl]-2-methoxyphenol

V021-3442 Screening compound: 5-[2-(3-chlorobenzyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-yl]-2-methoxyphenol
V021-3442 Screening compound: 5-[2-(3-chlorobenzyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-yl]-2-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-3442
5-[2-(3-chlorobenzyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-yl]-2-methoxyphenol

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

V021-3442

Molecular Formula

C22H23ClN2O2 (C22 H23 ClN2 O2)

Compound Name

5-[2-(3-chlorobenzyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-yl]-2-methoxyphenol

IUPAC name

5-{2-[(3-chlorophenyl)methyl]-1H2H3H4H5H-pyrrolo[12-a][14]diazepin-1-yl}-2-methoxyphenol

SMILES

COc(ccc(C1N(Cc2cccc(Cl)c2)CCCn2c1ccc2)c1)c1O

InChI

InChI=1S/C22H23ClN2O2/c1-27-21-9-8-17(14-20(21)26)22-19-7-3-10-24(19)11-4-12-25(22)15-16-5-2-6-18(23)13-16/h2-3,5-10,13-14,22,26H,4,11-12,15H2,1H3/t22-/m1/s1

InChI Key

GPVSZVDCGAIXAO-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19888611

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

382.89

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.576

Distribution Coefficient, logD

4.539

Water Solubility, LogSw

-4.63

Polar Surface Area

30.120

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

V021-3442 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 V021-3442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-3442?
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What is the minimum amount of V021-3442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-3442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-3442
  • 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 V021-3442 available by request