C091-0081 Screening compound: 3-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol

C091-0081 Screening compound: 3-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
C091-0081 Screening compound: 3-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound C091-0081
3-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol

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

C091-0081

Molecular Formula

C15H21N5O4 (C15 H21 N5 O4)

Compound Name

3-{[7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol

IUPAC name

3-{[7-(3-methylpiperidin-1-yl)-4-nitro-213-benzoxadiazol-5-yl]amino}propan-1-ol

SMILES

CC(CCC1)CN1c(c1nonc11)cc(NCCCO)c1[N+]([O-])=O

InChI

InChI=1S/C15H21N5O4/c1-10-4-2-6-19(9-10)12-8-11(16-5-3-7-21)15(20(22)23)14-13(12)17-24-18-14/h8,10,16,21H,2-7,9H2,1H3/t10-/m0/s1

InChI Key

RPDQIKPYCUNTDP-JTQLQIEISA-N

MDL Number (MFCD)

MFCD05025315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.819

Distribution Coefficient, logD

2.819

Water Solubility, LogSw

-3.49

Polar Surface Area

99.269

Acid Dissociation Constant (pKa)

15.67

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with C091-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C091-0081?
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What is the minimum amount of C091-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C091-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C091-0081
  • 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 C091-0081 available by request