C094-2417 Screening compound: N-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide

C094-2417 Screening compound: N-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
C094-2417 Screening compound: N-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-2417
N-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-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

C094-2417

Molecular Formula

C20H27N3O5 (C20 H27 N3 O5)

Compound Name

N-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide

IUPAC name

N-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-(6-nitro-2H-13-benzodioxol-5-yl)acetamide

SMILES

CC(CC1)CCN1C(C(NC1CCCC1)=O)c(cc1OCOc1c1)c1[N+]([O-])=O

InChI

InChI=1S/C20H27N3O5/c1-13-6-8-22(9-7-13)19(20(24)21-14-4-2-3-5-14)15-10-17-18(28-12-27-17)11-16(15)23(25)26/h10-11,13-14,19H,2-9,12H2,1H3,(H,21,24)/t19-/m1/s1

InChI Key

GSNUGPKLNMXGPY-LJQANCHMSA-N

MDL Number (MFCD)

MFCD03828866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.478

Distribution Coefficient, logD

2.538

Water Solubility, LogSw

-3.94

Polar Surface Area

77.964

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

8.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

C094-2417 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C094-2417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-2417?
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What is the minimum amount of C094-2417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-2417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-2417
  • 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 C094-2417 available by request