C091-0353 Screening compound: 2-[(7-{[3-(4-benzylpiperidino)propyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-1-ethanol

C091-0353 Screening compound: 2-[(7-{[3-(4-benzylpiperidino)propyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-1-ethanol
C091-0353 Screening compound: 2-[(7-{[3-(4-benzylpiperidino)propyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-1-ethanol alternative view

Chemical Structure Depiction of ChemDiv screening compound C091-0353
2-[(7-{[3-(4-benzylpiperidino)propyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-1-ethanol

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

C091-0353

Molecular Formula

C23H30N6O4 (C23 H30 N6 O4)

Compound Name

2-[(7-{[3-(4-benzylpiperidino)propyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-1-ethanol

IUPAC name

2-[(7-{[3-(4-benzylpiperidin-1-yl)propyl]amino}-4-nitro-213-benzoxadiazol-5-yl)amino]ethan-1-ol

SMILES

[O-][N+](c(c1nonc1c(NCCCN1CCC(Cc2ccccc2)CC1)c1)c1NCCO)=O

InChI

InChI=1S/C23H30N6O4/c30-14-10-25-20-16-19(21-22(27-33-26-21)23(20)29(31)32)24-9-4-11-28-12-7-18(8-13-28)15-17-5-2-1-3-6-17/h1-3,5-6,16,18,24-25,30H,4,7-15H2

InChI Key

YIZANHBCPFEWGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.149

Distribution Coefficient, logD

2.734

Water Solubility, LogSw

-4.31

Polar Surface Area

109.273

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.83

References: we are preparing a list of scientific research reports with C091-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C091-0353?
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What is the minimum amount of C091-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C091-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C091-0353
  • 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 C091-0353 available by request