1111-1004 Screening compound: 3-[(2-cyanoethyl)amino]naphthalene-2-carboxylic acid

1111-1004 Screening compound: 3-[(2-cyanoethyl)amino]naphthalene-2-carboxylic acid
1111-1004 Screening compound: 3-[(2-cyanoethyl)amino]naphthalene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1111-1004
3-[(2-cyanoethyl)amino]naphthalene-2-carboxylic acid

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

1111-1004

Molecular Formula

C14H12N2O2 (C14 H12 N2 O2)

Compound Name

3-[(2-cyanoethyl)amino]naphthalene-2-carboxylic acid

IUPAC name

3-[(2-cyanoethyl)amino]naphthalene-2-carboxylic acid

SMILES

N#CCCNc1cc2ccccc2cc1C(O)=O

InChI

InChI=1S/C14H12N2O2/c15-6-3-7-16-13-9-11-5-2-1-4-10(11)8-12(13)14(17)18/h1-2,4-5,8-9,16H,3,7H2,(H,17,18)

InChI Key

KDJZSPWAASAKAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00579697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

240.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.482

Distribution Coefficient, logD

0.898

Water Solubility, LogSw

-3.18

Polar Surface Area

55.517

Acid Dissociation Constant (pKa)

5.83

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1111-1004 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1111-1004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1111-1004?
Check Price and Availability of 1111-1004, 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 1111-1004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1111-1004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1111-1004
  • 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 1111-1004 available by request