C776-0271 Screening compound: 2-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidin-1-yl)-1H-1,3-benzodiazole

C776-0271 Screening compound: 2-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidin-1-yl)-1H-1,3-benzodiazole
C776-0271 Screening compound: 2-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidin-1-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-0271
2-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidin-1-yl)-1H-1,3-benzodiazole

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

C776-0271

Molecular Formula

C25H29N5O3 (C25 H29 N5 O3)

Compound Name

2-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidin-1-yl)-1H-1,3-benzodiazole

IUPAC name

2-(4-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidin-1-yl)-1H-13-benzodiazole

SMILES

O=C(C(CC1)CCN1c1nc(cccc2)c2[nH]1)N1CCN(Cc(cc2)cc3c2OCO3)CC1

InChI

InChI=1S/C25H29N5O3/c31-24(19-7-9-30(10-8-19)25-26-20-3-1-2-4-21(20)27-25)29-13-11-28(12-14-29)16-18-5-6-22-23(15-18)33-17-32-22/h1-6,15,19H,7-14,16-17H2,(H,26,27)

InChI Key

GZYXYULVOIOKMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.717

Distribution Coefficient, logD

2.248

Water Solubility, LogSw

-3.05

Polar Surface Area

59.213

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

7.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with C776-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-0271?
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What is the minimum amount of C776-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-0271
  • 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 C776-0271 available by request