0217-0028 Screening compound: pentyl 6-nitro-2-oxo-2,3-dihydro-1,3-benzoxazole-3-carboxylate

0217-0028 Screening compound: pentyl 6-nitro-2-oxo-2,3-dihydro-1,3-benzoxazole-3-carboxylate
0217-0028 Screening compound: pentyl 6-nitro-2-oxo-2,3-dihydro-1,3-benzoxazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0217-0028
pentyl 6-nitro-2-oxo-2,3-dihydro-1,3-benzoxazole-3-carboxylate

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

0217-0028

Molecular Formula

C13H14N2O6 (C13 H14 N2 O6)

Compound Name

pentyl 6-nitro-2-oxo-2,3-dihydro-1,3-benzoxazole-3-carboxylate

IUPAC name

pentyl 6-nitro-2-oxo-23-dihydro-13-benzoxazole-3-carboxylate

SMILES

CCCCCOC(N(c(ccc([N+]([O-])=O)c1)c1O1)C1=O)=O

InChI

InChI=1S/C13H14N2O6/c1-2-3-4-7-20-12(16)14-10-6-5-9(15(18)19)8-11(10)21-13(14)17/h5-6,8H,2-4,7H2,1H3

InChI Key

JNTAJDCLTLGLOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00411881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.26

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.235

Distribution Coefficient, logD

3.235

Water Solubility, LogSw

-3.56

Polar Surface Area

75.651

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

-6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

0217-0028 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 0217-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0217-0028?
Check Price and Availability of 0217-0028, 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 0217-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0217-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0217-0028
  • 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 0217-0028 available by request