V004-6064 Screening compound: 2-{[1-(2-chlorophenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl]methyl}-4-methylphenol

V004-6064 Screening compound: 2-{[1-(2-chlorophenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl]methyl}-4-methylphenol
V004-6064 Screening compound: 2-{[1-(2-chlorophenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl]methyl}-4-methylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-6064
2-{[1-(2-chlorophenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl]methyl}-4-methylphenol

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

V004-6064

Molecular Formula

C22H23ClN2O (C22 H23 ClN2 O)

Compound Name

2-{[1-(2-chlorophenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-2-yl]methyl}-4-methylphenol

IUPAC name

2-{[1-(2-chlorophenyl)-1H2H3H4H5H-pyrrolo[12-a][14]diazepin-2-yl]methyl}-4-methylphenol

SMILES

Cc(cc1)cc(CN(CCCn2c3ccc2)C3c(cccc2)c2Cl)c1O

InChI

InChI=1S/C22H23ClN2O/c1-16-9-10-21(26)17(14-16)15-25-13-5-12-24-11-4-8-20(24)22(25)18-6-2-3-7-19(18)23/h2-4,6-11,14,22,26H,5,12-13,15H2,1H3/t22-/m1/s1

InChI Key

KBURPJWQRWUELV-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19888049

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

366.89

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.076

Distribution Coefficient, logD

5.068

Water Solubility, LogSw

-4.87

Polar Surface Area

22.490

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

V004-6064 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 V004-6064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-6064?
Check Price and Availability of V004-6064, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V004-6064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-6064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-6064
  • 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 V004-6064 available by request