V003-0847 Screening compound: 1-[(cyclohexylmethyl)({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]butan-2-ol

V003-0847 Screening compound: 1-[(cyclohexylmethyl)({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]butan-2-ol
V003-0847 Screening compound: 1-[(cyclohexylmethyl)({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]butan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-0847
1-[(cyclohexylmethyl)({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]butan-2-ol

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

V003-0847

Molecular Formula

C24H36N2O (C24 H36 N2 O)

Compound Name

1-[(cyclohexylmethyl)({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]butan-2-ol

IUPAC name

1-[(cyclohexylmethyl)({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]butan-2-ol

SMILES

CCC(CN(CC1CCCCC1)Cc1cccn1Cc1c(C)cccc1)O

InChI

InChI=1S/C24H36N2O/c1-3-24(27)19-25(16-21-11-5-4-6-12-21)18-23-14-9-15-26(23)17-22-13-8-7-10-20(22)2/h7-10,13-15,21,24,27H,3-6,11-12,16-19H2,1-2H3/t24-/m0/s1

InChI Key

BYBSOAORGKAJDN-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19775453

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

368.56

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.749

Distribution Coefficient, logD

5.676

Water Solubility, LogSw

-5.48

Polar Surface Area

22.832

Acid Dissociation Constant (pKa)

16.77

Base Dissociation Constant (pKb)

6.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.30

V003-0847 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with V003-0847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-0847?
Check Price and Availability of V003-0847, 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 V003-0847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-0847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-0847
  • 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 V003-0847 available by request