C082-0003 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide

C082-0003 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
C082-0003 Screening compound: 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C082-0003
2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(6-ethoxy-1,3-benzothiazol-2-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

C082-0003

Molecular Formula

C20H19N3O4S (C20 H19 N3 O4 S)

Compound Name

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

IUPAC name

2-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}-N-(6-ethoxy-13-benzothiazol-2-yl)acetamide

SMILES

CCOc(cc1)cc2c1nc(NC(CN(C(C1C3C4C=CC1C4)=O)C3=O)=O)s2

InChI

InChI=1S/C20H19N3O4S/c1-2-27-12-5-6-13-14(8-12)28-20(21-13)22-15(24)9-23-18(25)16-10-3-4-11(7-10)17(16)19(23)26/h3-6,8,10-11,16-17H,2,7,9H2,1H3,(H,21,22,24)

InChI Key

MRTXFVBXBICCEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04806548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.659

Distribution Coefficient, logD

2.659

Water Solubility, LogSw

-3.07

Polar Surface Area

70.370

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with C082-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C082-0003?
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What is the minimum amount of C082-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C082-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C082-0003
  • 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 C082-0003 available by request