2310-3874 Screening compound: (2E)-N-[2-(1-adamantyl)ethyl]-3-(3-nitrophenyl)acrylamide

2310-3874 Screening compound: (2E)-N-[2-(1-adamantyl)ethyl]-3-(3-nitrophenyl)acrylamide
2310-3874 Screening compound: (2E)-N-[2-(1-adamantyl)ethyl]-3-(3-nitrophenyl)acrylamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2310-3874
(2E)-N-[2-(1-adamantyl)ethyl]-3-(3-nitrophenyl)acrylamide

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

2310-3874

Molecular Formula

C21H26N2O3 (C21 H26 N2 O3)

Compound Name

(2E)-N-[2-(1-adamantyl)ethyl]-3-(3-nitrophenyl)acrylamide

IUPAC name

(2E)-N-[2-(adamantan-1-yl)ethyl]-3-(3-nitrophenyl)prop-2-enamide

SMILES

[O-][N+](c1cc(/C=C/C(NCCC2(CC(C3)C4)CC4CC3C2)=O)ccc1)=O

InChI

InChI=1S/C21H26N2O3/c24-20(5-4-15-2-1-3-19(11-15)23(25)26)22-7-6-21-12-16-8-17(13-21)10-18(9-16)14-21/h1-5,11,16-18H,6-10,12-14H2,(H,22,24)

InChI Key

JJPQZTAIDKZGFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01840994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.195

Distribution Coefficient, logD

5.195

Water Solubility, LogSw

-5.45

Polar Surface Area

57.695

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

2310-3874 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2310-3874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2310-3874?
Check Price and Availability of 2310-3874, 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 2310-3874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2310-3874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2310-3874
  • 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 2310-3874 available by request