1165-0557 Screening compound: N-ethyl-14-[(2-methyl-4-nitrophenyl)amino]tetradeca-10,12-diynamide

1165-0557 Screening compound: N-ethyl-14-[(2-methyl-4-nitrophenyl)amino]tetradeca-10,12-diynamide
1165-0557 Screening compound: N-ethyl-14-[(2-methyl-4-nitrophenyl)amino]tetradeca-10,12-diynamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1165-0557
N-ethyl-14-[(2-methyl-4-nitrophenyl)amino]tetradeca-10,12-diynamide

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

1165-0557

Molecular Formula

C23H31N3O3 (C23 H31 N3 O3)

Compound Name

N-ethyl-14-[(2-methyl-4-nitrophenyl)amino]tetradeca-10,12-diynamide

IUPAC name

N-ethyl-14-[(2-methyl-4-nitrophenyl)amino]tetradeca-1012-diynamide

SMILES

CCNC(CCCCCCCCC#CC#CCNc(cc1)c(C)cc1[N+]([O-])=O)=O

InChI

InChI=1S/C23H31N3O3/c1-3-24-23(27)15-13-11-9-7-5-4-6-8-10-12-14-18-25-22-17-16-21(26(28)29)19-20(22)2/h16-17,19,25H,3-7,9,11,13,15,18H2,1-2H3,(H,24,27)

InChI Key

JLXMAOKQPPEVHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.277

Distribution Coefficient, logD

5.277

Water Solubility, LogSw

-5.02

Polar Surface Area

67.367

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

1165-0557 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1165-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1165-0557?
Check Price and Availability of 1165-0557, 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 1165-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1165-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1165-0557
  • 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 1165-0557 available by request