1682-4405 Screening compound: ethyl 2-[(adamantan-1-yl)formamido]-3-(1H-indol-3-yl)propanoate

1682-4405 Screening compound: ethyl 2-[(adamantan-1-yl)formamido]-3-(1H-indol-3-yl)propanoate
1682-4405 Screening compound: ethyl 2-[(adamantan-1-yl)formamido]-3-(1H-indol-3-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-4405
ethyl 2-[(adamantan-1-yl)formamido]-3-(1H-indol-3-yl)propanoate

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

1682-4405

Molecular Formula

C24H30N2O3 (C24 H30 N2 O3)

Compound Name

ethyl 2-[(adamantan-1-yl)formamido]-3-(1H-indol-3-yl)propanoate

IUPAC name

ethyl 2-[(adamantan-1-yl)formamido]-3-(1H-indol-3-yl)propanoate

SMILES

CCOC(C(Cc1c[nH]c2c1cccc2)NC(C1(CC(C2)C3)CC3CC2C1)=O)=O

InChI

InChI=1S/C24H30N2O3/c1-2-29-22(27)21(10-18-14-25-20-6-4-3-5-19(18)20)26-23(28)24-11-15-7-16(12-24)9-17(8-15)13-24/h3-6,14-17,21,25H,2,7-13H2,1H3,(H,26,28)/t15?,16?,17?,21-,24?/m0/s1

InChI Key

ULEUMMGDTQLOKJ-XBESXDPPSA-N

MDL Number (MFCD)

MFCD01831129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.001

Distribution Coefficient, logD

5.001

Water Solubility, LogSw

-4.86

Polar Surface Area

54.940

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.30

1682-4405 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1682-4405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-4405?
Check Price and Availability of 1682-4405, 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 1682-4405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-4405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-4405
  • 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 1682-4405 available by request