C094-0172 Screening compound: 2-(4-hydroxypiperidin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-N-[4-(propan-2-yl)phenyl]acetamide

C094-0172 Screening compound: 2-(4-hydroxypiperidin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-N-[4-(propan-2-yl)phenyl]acetamide
C094-0172 Screening compound: 2-(4-hydroxypiperidin-1-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 C094-0172
2-(4-hydroxypiperidin-1-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

C094-0172

Molecular Formula

C23H27N3O6 (C23 H27 N3 O6)

Compound Name

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

IUPAC name

2-(4-hydroxypiperidin-1-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)N(CC1)CCC1O)=O

InChI

InChI=1S/C23H27N3O6/c1-14(2)15-3-5-16(6-4-15)24-23(28)22(25-9-7-17(27)8-10-25)18-11-20-21(32-13-31-20)12-19(18)26(29)30/h3-6,11-12,14,17,22,27H,7-10,13H2,1-2H3,(H,24,28)/t22-/m1/s1

InChI Key

ABNRNAZRMXSKMU-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03449704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.377

Distribution Coefficient, logD

3.356

Water Solubility, LogSw

-3.68

Polar Surface Area

92.273

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

6.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with C094-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-0172?
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What is the minimum amount of C094-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-0172
  • 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 C094-0172 available by request