2582-0096 Screening compound: 1-(1H-1,3-benzodiazol-1-yl)-3-(4-nitrophenoxy)propan-2-ol

2582-0096 Screening compound: 1-(1H-1,3-benzodiazol-1-yl)-3-(4-nitrophenoxy)propan-2-ol
2582-0096 Screening compound: 1-(1H-1,3-benzodiazol-1-yl)-3-(4-nitrophenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2582-0096
1-(1H-1,3-benzodiazol-1-yl)-3-(4-nitrophenoxy)propan-2-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

2582-0096

Molecular Formula

C16H15N3O4 (C16 H15 N3 O4)

Compound Name

1-(1H-1,3-benzodiazol-1-yl)-3-(4-nitrophenoxy)propan-2-ol

IUPAC name

1-(1H-13-benzodiazol-1-yl)-3-(4-nitrophenoxy)propan-2-ol

SMILES

[O-][N+](c(cc1)ccc1OCC(Cn1c(cccc2)c2nc1)O)=O

InChI

InChI=1S/C16H15N3O4/c20-13(9-18-11-17-15-3-1-2-4-16(15)18)10-23-14-7-5-12(6-8-14)19(21)22/h1-8,11,13,20H,9-10H2/t13-/m0/s1

InChI Key

RFSIVCDTHDPFSO-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD00396313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.570

Distribution Coefficient, logD

2.570

Water Solubility, LogSw

-2.41

Polar Surface Area

67.923

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

2582-0096 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 2582-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2582-0096?
Check Price and Availability of 2582-0096, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2582-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2582-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2582-0096
  • 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 2582-0096 available by request