1495-0221 Screening compound: 2-[(pyridin-3-yl)formamido]ethyl 2-(4-methylphenyl)acetate

1495-0221 Screening compound: 2-[(pyridin-3-yl)formamido]ethyl 2-(4-methylphenyl)acetate
1495-0221 Screening compound: 2-[(pyridin-3-yl)formamido]ethyl 2-(4-methylphenyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1495-0221
2-[(pyridin-3-yl)formamido]ethyl 2-(4-methylphenyl)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

1495-0221

Molecular Formula

C17H18N2O3 (C17 H18 N2 O3)

Compound Name

2-[(pyridin-3-yl)formamido]ethyl 2-(4-methylphenyl)acetate

IUPAC name

2-[(pyridin-3-yl)formamido]ethyl 2-(4-methylphenyl)acetate

SMILES

Cc1ccc(CC(OCCNC(c2cnccc2)=O)=O)cc1

InChI

InChI=1S/C17H18N2O3/c1-13-4-6-14(7-5-13)11-16(20)22-10-9-19-17(21)15-3-2-8-18-12-15/h2-8,12H,9-11H2,1H3,(H,19,21)

InChI Key

NXGYJZFPWQCHAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808276

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

298.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.809

Distribution Coefficient, logD

1.809

Water Solubility, LogSw

-1.38

Polar Surface Area

54.464

Acid Dissociation Constant (pKa)

13.47

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

1495-0221 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Pool

References: we are preparing a list of scientific research reports with 1495-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1495-0221?
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What is the minimum amount of 1495-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1495-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1495-0221
  • 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 1495-0221 available by request