C082-0105 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(4-isopropylphenyl)propanamide

C082-0105 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(4-isopropylphenyl)propanamide
C082-0105 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(4-isopropylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C082-0105
3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(4-isopropylphenyl)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

C082-0105

Molecular Formula

C21H24N2O3 (C21 H24 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1NC(CCN(C(C1C2C3C=CC1C3)=O)C2=O)=O

InChI

InChI=1S/C21H24N2O3/c1-12(2)13-5-7-16(8-6-13)22-17(24)9-10-23-20(25)18-14-3-4-15(11-14)19(18)21(23)26/h3-8,12,14-15,18-19H,9-11H2,1-2H3,(H,22,24)

InChI Key

GYZWUODKCQOVDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14717903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.822

Distribution Coefficient, logD

2.822

Water Solubility, LogSw

-3.51

Polar Surface Area

53.464

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with C082-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C082-0105?
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What is the minimum amount of C082-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C082-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C082-0105
  • 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 C082-0105 available by request