4104-0001 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-[(adamantan-1-yl)formamido]-3-phenylpropanoate

4104-0001 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-[(adamantan-1-yl)formamido]-3-phenylpropanoate
4104-0001 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-[(adamantan-1-yl)formamido]-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4104-0001
2-(4-chlorophenyl)-2-oxoethyl 2-[(adamantan-1-yl)formamido]-3-phenylpropanoate

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

4104-0001

Molecular Formula

C28H30ClNO4 (C28 H30 ClNO4)

Compound Name

2-(4-chlorophenyl)-2-oxoethyl 2-[(adamantan-1-yl)formamido]-3-phenylpropanoate

IUPAC name

2-(4-chlorophenyl)-2-oxoethyl 2-[(adamantan-1-yl)formamido]-3-phenylpropanoate

SMILES

O=C(COC(C(Cc1ccccc1)NC(C1(CC(C2)C3)CC3CC2C1)=O)=O)c(cc1)ccc1Cl

InChI

InChI=1S/C28H30ClNO4/c29-23-8-6-22(7-9-23)25(31)17-34-26(32)24(13-18-4-2-1-3-5-18)30-27(33)28-14-19-10-20(15-28)12-21(11-19)16-28/h1-9,19-21,24H,10-17H2,(H,30,33)/t19?,20?,21?,24-,28?/m0/s1

InChI Key

OWZOCAAVUYMSHP-VSFNCYNZSA-N

MDL Number (MFCD)

MFCD02932293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.935

Distribution Coefficient, logD

5.935

Water Solubility, LogSw

-6.30

Polar Surface Area

58.420

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

4104-0001 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 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
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4104-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4104-0001?
Check Price and Availability of 4104-0001, 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 4104-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4104-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4104-0001
  • 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 4104-0001 available by request