V028-8888 Screening compound: 3-[((1,2-dimethylpropyl){[1-(3-methoxybenzyl)-1H-pyrrol-2-yl]methyl}amino)methyl]benzonitrile

V028-8888 Screening compound: 3-[((1,2-dimethylpropyl){[1-(3-methoxybenzyl)-1H-pyrrol-2-yl]methyl}amino)methyl]benzonitrile
V028-8888 Screening compound: 3-[((1,2-dimethylpropyl){[1-(3-methoxybenzyl)-1H-pyrrol-2-yl]methyl}amino)methyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-8888
3-[((1,2-dimethylpropyl){[1-(3-methoxybenzyl)-1H-pyrrol-2-yl]methyl}amino)methyl]benzonitrile

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

V028-8888

Molecular Formula

C26H31N3O (C26 H31 N3 O)

Compound Name

3-[((1,2-dimethylpropyl){[1-(3-methoxybenzyl)-1H-pyrrol-2-yl]methyl}amino)methyl]benzonitrile

IUPAC name

3-{[({1-[(3-methoxyphenyl)methyl]-1H-pyrrol-2-yl}methyl)(3-methylbutan-2-yl)amino]methyl}benzonitrile

SMILES

CC(C)C(C)N(Cc1cccn1Cc1cccc(OC)c1)Cc1cc(C#N)ccc1

InChI

InChI=1S/C26H31N3O/c1-20(2)21(3)29(18-23-9-5-8-22(14-23)16-27)19-25-11-7-13-28(25)17-24-10-6-12-26(15-24)30-4/h5-15,20-21H,17-19H2,1-4H3/t21-/m0/s1

InChI Key

KINDAQQKXDTXIX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19775456

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

401.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.490

Distribution Coefficient, logD

5.465

Water Solubility, LogSw

-5.55

Polar Surface Area

29.876

Acid Dissociation Constant (pKa)

25.38

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.62

V028-8888 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with V028-8888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-8888?
Check Price and Availability of V028-8888, 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 V028-8888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-8888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-8888
  • 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 V028-8888 available by request