1659-1417 Screening compound: 3-(5-nitro-1H-1,3-benzodiazol-2-yl)propyl cyclohexanecarboxylate

1659-1417 Screening compound: 3-(5-nitro-1H-1,3-benzodiazol-2-yl)propyl cyclohexanecarboxylate
1659-1417 Screening compound: 3-(5-nitro-1H-1,3-benzodiazol-2-yl)propyl cyclohexanecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1659-1417
3-(5-nitro-1H-1,3-benzodiazol-2-yl)propyl cyclohexanecarboxylate

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

1659-1417

Molecular Formula

C17H21N3O4 (C17 H21 N3 O4)

Compound Name

3-(5-nitro-1H-1,3-benzodiazol-2-yl)propyl cyclohexanecarboxylate

IUPAC name

3-(5-nitro-1H-13-benzodiazol-2-yl)propyl cyclohexanecarboxylate

SMILES

[O-][N+](c(cc1)cc2c1[nH]c(CCCOC(C1CCCCC1)=O)n2)=O

InChI

InChI=1S/C17H21N3O4/c21-17(12-5-2-1-3-6-12)24-10-4-7-16-18-14-9-8-13(20(22)23)11-15(14)19-16/h8-9,11-12H,1-7,10H2,(H,18,19)

InChI Key

GHOBYVVKDCWFAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01056254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

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

4.174

Distribution Coefficient, logD

4.160

Water Solubility, LogSw

-4.28

Polar Surface Area

74.870

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

References: we are preparing a list of scientific research reports with 1659-1417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1659-1417?
Check Price and Availability of 1659-1417, 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 1659-1417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1659-1417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1659-1417
  • 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 1659-1417 available by request