V009-3552 Screening compound: 3-{[cyclohexyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzonitrile

V009-3552 Screening compound: 3-{[cyclohexyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzonitrile
V009-3552 Screening compound: 3-{[cyclohexyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-3552
3-{[cyclohexyl({1-[(4-fluorophenyl)methyl]-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

V009-3552

Molecular Formula

C26H28FN3 (C26 H28 FN3)

Compound Name

3-{[cyclohexyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzonitrile

IUPAC name

3-{[cyclohexyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzonitrile

SMILES

N#Cc1cccc(CN(Cc2cccn2Cc(cc2)ccc2F)C2CCCCC2)c1

InChI

InChI=1S/C26H28FN3/c27-24-13-11-21(12-14-24)18-29-15-5-10-26(29)20-30(25-8-2-1-3-9-25)19-23-7-4-6-22(16-23)17-28/h4-7,10-16,25H,1-3,8-9,18-20H2

InChI Key

XOKDXWISTWAXLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19775388

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

401.53

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.468

Distribution Coefficient, logD

5.458

Water Solubility, LogSw

-5.98

Polar Surface Area

21.942

Acid Dissociation Constant (pKa)

25.54

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

V009-3552 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V009-3552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-3552?
Check Price and Availability of V009-3552, 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 V009-3552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-3552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-3552
  • 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 V009-3552 available by request