8018-5516 Screening compound: 2-{N-[(adamantan-1-yl)methyl]-1-(thiophen-2-yl)formamido}ethyl thiophene-2-carboxylate

8018-5516 Screening compound: 2-{N-[(adamantan-1-yl)methyl]-1-(thiophen-2-yl)formamido}ethyl thiophene-2-carboxylate
8018-5516 Screening compound: 2-{N-[(adamantan-1-yl)methyl]-1-(thiophen-2-yl)formamido}ethyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5516
2-{N-[(adamantan-1-yl)methyl]-1-(thiophen-2-yl)formamido}ethyl thiophene-2-carboxylate

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

8018-5516

Molecular Formula

C23H27NO3S2 (C23 H27 NO3 S2)

Compound Name

2-{N-[(adamantan-1-yl)methyl]-1-(thiophen-2-yl)formamido}ethyl thiophene-2-carboxylate

IUPAC name

2-{N-[(adamantan-1-yl)methyl]-1-(thiophen-2-yl)formamido}ethyl thiophene-2-carboxylate

SMILES

O=C(c1cccs1)N(CCOC(c1cccs1)=O)CC1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C23H27NO3S2/c25-21(19-3-1-7-28-19)24(5-6-27-22(26)20-4-2-8-29-20)15-23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,7-8,16-18H,5-6,9-15H2

InChI Key

MSWHZOYUMQATLA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.000

Distribution Coefficient, logD

6.000

Water Solubility, LogSw

-5.88

Polar Surface Area

39.274

Acid Dissociation Constant (pKa)

25.53

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

8018-5516 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-5516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5516?
Check Price and Availability of 8018-5516, 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 8018-5516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5516
  • 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 8018-5516 available by request