C082-0092 Screening compound: N~1~-(3-chloro-2-methylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanamide

C082-0092 Screening compound: N~1~-(3-chloro-2-methylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanamide
C082-0092 Screening compound: N~1~-(3-chloro-2-methylphenyl)-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 C082-0092
N~1~-(3-chloro-2-methylphenyl)-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

C082-0092

Molecular Formula

C19H19ClN2O3 (C19 H19 ClN2 O3)

Compound Name

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

IUPAC name

N-(3-chloro-2-methylphenyl)-3-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}propanamide

SMILES

Cc(c(NC(CCN(C(C1C2C3C=CC1C3)=O)C2=O)=O)ccc1)c1Cl

InChI

InChI=1S/C19H19ClN2O3/c1-10-13(20)3-2-4-14(10)21-15(23)7-8-22-18(24)16-11-5-6-12(9-11)17(16)19(22)25/h2-6,11-12,16-17H,7-9H2,1H3,(H,21,23)

InChI Key

ZDEHPXBDYSHUEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03185668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.82

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

2.292

Distribution Coefficient, logD

2.291

Water Solubility, LogSw

-3.13

Polar Surface Area

52.766

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with C082-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C082-0092?
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What is the minimum amount of C082-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C082-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C082-0092
  • 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 C082-0092 available by request