8014-9340 Screening compound: N-(2,6-dichlorophenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide

8014-9340 Screening compound: N-(2,6-dichlorophenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
8014-9340 Screening compound: N-(2,6-dichlorophenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9340
N-(2,6-dichlorophenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide

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

8014-9340

Molecular Formula

C17H19Cl2NO4 (C17 H19 Cl2 NO4)

Compound Name

N-(2,6-dichlorophenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide

IUPAC name

N-(26-dichlorophenyl)-77-dimethyl-2-oxo-18-dioxaspiro[4.5]decane-4-carboxamide

SMILES

CC(C)(C1)OCCC1(C(C1)C(Nc(c(Cl)ccc2)c2Cl)=O)OC1=O

InChI

InChI=1S/C17H19Cl2NO4/c1-16(2)9-17(6-7-23-16)10(8-13(21)24-17)15(22)20-14-11(18)4-3-5-12(14)19/h3-5,10H,6-9H2,1-2H3,(H,20,22)

InChI Key

GTOISFOVUPTITK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03596836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.502

Distribution Coefficient, logD

3.348

Water Solubility, LogSw

-3.74

Polar Surface Area

49.444

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

-4.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.94

8014-9340 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8014-9340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9340?
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What is the minimum amount of 8014-9340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9340
  • 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 8014-9340 available by request