C082-0112 Screening compound: N~1~-(3,4-difluorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanamide

C082-0112 Screening compound: N~1~-(3,4-difluorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanamide
C082-0112 Screening compound: N~1~-(3,4-difluorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C082-0112
N~1~-(3,4-difluorophenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)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

C082-0112

Molecular Formula

C18H16F2N2O3 (C18 H16 F2 N2 O3)

Compound Name

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

IUPAC name

N-(34-difluorophenyl)-3-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}propanamide

SMILES

O=C(CCN(C(C1C2C3C=CC1C3)=O)C2=O)Nc(cc1)cc(F)c1F

InChI

InChI=1S/C18H16F2N2O3/c19-12-4-3-11(8-13(12)20)21-14(23)5-6-22-17(24)15-9-1-2-10(7-9)16(15)18(22)25/h1-4,8-10,15-16H,5-7H2,(H,21,23)

InChI Key

KFVUXVTVNVZCBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14717907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.33

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

1.841

Distribution Coefficient, logD

1.808

Water Solubility, LogSw

-2.43

Polar Surface Area

53.464

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with C082-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C082-0112?
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What is the minimum amount of C082-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C082-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C082-0112
  • 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 C082-0112 available by request