4104-0018 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-[(adamantan-1-yl)formamido]-4-(methylsulfanyl)butanoate

4104-0018 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-[(adamantan-1-yl)formamido]-4-(methylsulfanyl)butanoate
4104-0018 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-[(adamantan-1-yl)formamido]-4-(methylsulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4104-0018
2-(4-bromophenyl)-2-oxoethyl 2-[(adamantan-1-yl)formamido]-4-(methylsulfanyl)butanoate

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

4104-0018

Molecular Formula

C24H30BrNO4S (C24 H30 BrNO4 S)

Compound Name

2-(4-bromophenyl)-2-oxoethyl 2-[(adamantan-1-yl)formamido]-4-(methylsulfanyl)butanoate

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 2-[(adamantan-1-yl)formamido]-4-(methylsulfanyl)butanoate

SMILES

CSCCC(C(OCC(c(cc1)ccc1Br)=O)=O)NC(C1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C24H30BrNO4S/c1-31-7-6-20(22(28)30-14-21(27)18-2-4-19(25)5-3-18)26-23(29)24-11-15-8-16(12-24)10-17(9-15)13-24/h2-5,15-17,20H,6-14H2,1H3,(H,26,29)/t15?,16?,17?,20-,24?/m0/s1

InChI Key

CSQSYFBQXCJRTI-ZDCBYCKXSA-N

MDL Number (MFCD)

MFCD02932300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.300

Distribution Coefficient, logD

5.300

Water Solubility, LogSw

-5.45

Polar Surface Area

58.692

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

4104-0018 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

GABA Library (7115 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4104-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4104-0018?
Check Price and Availability of 4104-0018, 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 4104-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4104-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4104-0018
  • 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 4104-0018 available by request