C082-0085 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(3-fluorophenyl)propanamide

C082-0085 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(3-fluorophenyl)propanamide
C082-0085 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(3-fluorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C082-0085
3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(3-fluorophenyl)propanamide

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

C082-0085

Molecular Formula

C18H17FN2O3 (C18 H17 FN2 O3)

Compound Name

3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(3-fluorophenyl)propanamide

IUPAC name

3-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}-N-(3-fluorophenyl)propanamide

SMILES

O=C(CCN(C(C1C2C3C=CC1C3)=O)C2=O)Nc1cccc(F)c1

InChI

InChI=1S/C18H17FN2O3/c19-12-2-1-3-13(9-12)20-14(22)6-7-21-17(23)15-10-4-5-11(8-10)16(15)18(21)24/h1-5,9-11,15-16H,6-8H2,(H,20,22)

InChI Key

CHLKQRUPGWGTPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14717901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.638

Distribution Coefficient, logD

1.637

Water Solubility, LogSw

-2.19

Polar Surface Area

53.464

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with C082-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C082-0085?
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What is the minimum amount of C082-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C082-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C082-0085
  • 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 C082-0085 available by request