C094-0156 Screening compound: 2-(morpholin-4-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-N-[4-(propan-2-yl)phenyl]acetamide

C094-0156 Screening compound: 2-(morpholin-4-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-N-[4-(propan-2-yl)phenyl]acetamide
C094-0156 Screening compound: 2-(morpholin-4-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-N-[4-(propan-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-0156
2-(morpholin-4-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-N-[4-(propan-2-yl)phenyl]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

C094-0156

Molecular Formula

C22H25N3O6 (C22 H25 N3 O6)

Compound Name

2-(morpholin-4-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-N-[4-(propan-2-yl)phenyl]acetamide

IUPAC name

2-(morpholin-4-yl)-2-(6-nitro-2H-13-benzodioxol-5-yl)-N-[4-(propan-2-yl)phenyl]acetamide

SMILES

CC(C)c(cc1)ccc1NC(C(c(cc1OCOc1c1)c1[N+]([O-])=O)N1CCOCC1)=O

InChI

InChI=1S/C22H25N3O6/c1-14(2)15-3-5-16(6-4-15)23-22(26)21(24-7-9-29-10-8-24)17-11-19-20(31-13-30-19)12-18(17)25(27)28/h3-6,11-12,14,21H,7-10,13H2,1-2H3,(H,23,26)/t21-/m1/s1

InChI Key

ODKOWQPPKPLIKQ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03449694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.786

Distribution Coefficient, logD

3.786

Water Solubility, LogSw

-3.99

Polar Surface Area

84.459

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

C094-0156 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C094-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-0156?
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What is the minimum amount of C094-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-0156
  • 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 C094-0156 available by request