5782-4752 Screening compound: N~1~-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-3-phenylpropanamide

5782-4752 Screening compound: N~1~-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-3-phenylpropanamide
5782-4752 Screening compound: N~1~-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5782-4752
N~1~-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-3-phenylpropanamide

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

5782-4752

Molecular Formula

C25H22ClF3N2O3 (C25 H22 ClF3 N2 O3)

Compound Name

N~1~-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-3-phenylpropanamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]decan-4-yl}-3-phenylpropanamide

SMILES

O=C(C(Cc1ccccc1)N(C(C1C2C3CC1CC3)=O)C2=O)Nc(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C25H22ClF3N2O3/c26-17-9-8-16(25(27,28)29)12-18(17)30-22(32)19(10-13-4-2-1-3-5-13)31-23(33)20-14-6-7-15(11-14)21(20)24(31)34/h1-5,8-9,12,14-15,19-21H,6-7,10-11H2,(H,30,32)

InChI Key

YOVOKJLIKVXMKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03185398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.91

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

4.743

Distribution Coefficient, logD

4.464

Water Solubility, LogSw

-5.16

Polar Surface Area

51.655

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 5782-4752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5782-4752?
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What is the minimum amount of 5782-4752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5782-4752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5782-4752
  • 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 5782-4752 available by request