1189-1999 Screening compound: 2-[(pyridin-3-yl)formamido]ethyl 3-methoxybenzoate

1189-1999 Screening compound: 2-[(pyridin-3-yl)formamido]ethyl 3-methoxybenzoate
1189-1999 Screening compound: 2-[(pyridin-3-yl)formamido]ethyl 3-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1189-1999
2-[(pyridin-3-yl)formamido]ethyl 3-methoxybenzoate

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

1189-1999

Molecular Formula

C16H16N2O4 (C16 H16 N2 O4)

Compound Name

2-[(pyridin-3-yl)formamido]ethyl 3-methoxybenzoate

IUPAC name

2-[(pyridin-3-yl)formamido]ethyl 3-methoxybenzoate

SMILES

COc1cccc(C(OCCNC(c2cnccc2)=O)=O)c1

InChI

InChI=1S/C16H16N2O4/c1-21-14-6-2-4-12(10-14)16(20)22-9-8-18-15(19)13-5-3-7-17-11-13/h2-7,10-11H,8-9H2,1H3,(H,18,19)

InChI Key

QKFZFQVAXJDRRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00628086

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

300.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.987

Distribution Coefficient, logD

1.987

Water Solubility, LogSw

-2.06

Polar Surface Area

62.603

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

1189-1999 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Pool

References: we are preparing a list of scientific research reports with 1189-1999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1189-1999?
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What is the minimum amount of 1189-1999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1189-1999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1189-1999
  • 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 1189-1999 available by request