C094-0082 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)acetamide

C094-0082 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)acetamide
C094-0082 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-0082
N~1~-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-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

C094-0082

Molecular Formula

C22H23ClN2O5 (C22 H23 ClN2 O5)

Compound Name

N~1~-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)acetamide

IUPAC name

n/a

SMILES

O=C(C(c(cc1)ccc1Cl)N(CC1)CCC11OCCO1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H23ClN2O5/c23-16-3-1-15(2-4-16)20(25-9-7-22(8-10-25)29-11-12-30-22)21(26)24-17-5-6-18-19(13-17)28-14-27-18/h1-6,13,20H,7-12,14H2,(H,24,26)/t20-/m1/s1

InChI Key

HQOSKHNFITZBGB-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14718946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.594

Distribution Coefficient, logD

3.594

Water Solubility, LogSw

-4.16

Polar Surface Area

57.907

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

C094-0082 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C094-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-0082?
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What is the minimum amount of C094-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-0082
  • 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 C094-0082 available by request