V005-7199 Screening compound: ethyl 2-[cyclohexyl({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]acetate

V005-7199 Screening compound: ethyl 2-[cyclohexyl({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]acetate
V005-7199 Screening compound: ethyl 2-[cyclohexyl({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-7199
ethyl 2-[cyclohexyl({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]acetate

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

V005-7199

Molecular Formula

C23H32N2O2 (C23 H32 N2 O2)

Compound Name

ethyl 2-[cyclohexyl({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]acetate

IUPAC name

ethyl 2-[cyclohexyl({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]acetate

SMILES

CCOC(CN(Cc1cccn1Cc1cc(C)ccc1)C1CCCCC1)=O

InChI

InChI=1S/C23H32N2O2/c1-3-27-23(26)18-25(21-11-5-4-6-12-21)17-22-13-8-14-24(22)16-20-10-7-9-19(2)15-20/h7-10,13-15,21H,3-6,11-12,16-18H2,1-2H3

InChI Key

VYNFFQLJYOAHCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19842510

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

368.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.097

Distribution Coefficient, logD

5.093

Water Solubility, LogSw

-4.77

Polar Surface Area

25.316

Acid Dissociation Constant (pKa)

23.40

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

V005-7199 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V005-7199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-7199?
Check Price and Availability of V005-7199, 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 V005-7199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-7199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-7199
  • 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 V005-7199 available by request