C082-0001 Screening compound: N~1~-(4-bromo-3-methylphenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide

C082-0001 Screening compound: N~1~-(4-bromo-3-methylphenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide
C082-0001 Screening compound: N~1~-(4-bromo-3-methylphenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C082-0001
N~1~-(4-bromo-3-methylphenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)acetamide

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

C082-0001

Molecular Formula

C18H17BrN2O3 (C18 H17 BrN2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)NC(CN(C(C2C3C4C=CC2C4)=O)C3=O)=O)c1Br

InChI

InChI=1S/C18H17BrN2O3/c1-9-6-12(4-5-13(9)19)20-14(22)8-21-17(23)15-10-2-3-11(7-10)16(15)18(21)24/h2-6,10-11,15-16H,7-8H2,1H3,(H,20,22)

InChI Key

SYLKCKMAJPWGMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04574965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.620

Distribution Coefficient, logD

2.619

Water Solubility, LogSw

-2.82

Polar Surface Area

53.485

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

38.90

C082-0001 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C082-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C082-0001?
Check Price and Availability of C082-0001, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C082-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C082-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C082-0001
  • 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 C082-0001 available by request