C795-2188 Screening compound: N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)pentanamide

C795-2188 Screening compound: N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)pentanamide
C795-2188 Screening compound: N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-2188
N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)pentanamide

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

C795-2188

Molecular Formula

C18H24N2O (C18 H24 N2 O)

Compound Name

N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)pentanamide

IUPAC name

N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)pentanamide

SMILES

CCCCC(NCc1cccn1Cc1cc(C)ccc1)=O

InChI

InChI=1S/C18H24N2O/c1-3-4-10-18(21)19-13-17-9-6-11-20(17)14-16-8-5-7-15(2)12-16/h5-9,11-12H,3-4,10,13-14H2,1-2H3,(H,19,21)

InChI Key

ONDDCNVFHUBUFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.978

Distribution Coefficient, logD

3.978

Water Solubility, LogSw

-3.88

Polar Surface Area

26.780

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

C795-2188 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 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 C795-2188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-2188?
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What is the minimum amount of C795-2188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-2188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-2188
  • 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 C795-2188 available by request