0717-0942 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)propyl 4-nitrobenzoate

0717-0942 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)propyl 4-nitrobenzoate
0717-0942 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)propyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0717-0942
3-(1H-1,3-benzodiazol-2-yl)propyl 4-nitrobenzoate

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

0717-0942

Molecular Formula

C17H15N3O4 (C17 H15 N3 O4)

Compound Name

3-(1H-1,3-benzodiazol-2-yl)propyl 4-nitrobenzoate

IUPAC name

3-(1H-13-benzodiazol-2-yl)propyl 4-nitrobenzoate

SMILES

[O-][N+](c(cc1)ccc1C(OCCCc1nc(cccc2)c2[nH]1)=O)=O

InChI

InChI=1S/C17H15N3O4/c21-17(12-7-9-13(10-8-12)20(22)23)24-11-3-6-16-18-14-4-1-2-5-15(14)19-16/h1-2,4-5,7-10H,3,6,11H2,(H,18,19)

InChI Key

NZRYFSHUOXNTAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00608312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.055

Distribution Coefficient, logD

4.052

Water Solubility, LogSw

-4.39

Polar Surface Area

74.678

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 0717-0942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0717-0942?
Check Price and Availability of 0717-0942, 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 0717-0942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0717-0942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0717-0942
  • 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 0717-0942 available by request