0108-0025 Screening compound: 2-methylpropyl 4-chloro-3,5-dinitrobenzoate

0108-0025 Screening compound: 2-methylpropyl 4-chloro-3,5-dinitrobenzoate
0108-0025 Screening compound: 2-methylpropyl 4-chloro-3,5-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0108-0025
2-methylpropyl 4-chloro-3,5-dinitrobenzoate

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

0108-0025

Molecular Formula

C11H11ClN2O6 (C11 H11 ClN2 O6)

Compound Name

2-methylpropyl 4-chloro-3,5-dinitrobenzoate

IUPAC name

2-methylpropyl 4-chloro-35-dinitrobenzoate

SMILES

CC(C)COC(c(cc1[N+]([O-])=O)cc([N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C11H11ClN2O6/c1-6(2)5-20-11(15)7-3-8(13(16)17)10(12)9(4-7)14(18)19/h3-4,6H,5H2,1-2H3

InChI Key

MHWMKXCBVGGVSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00272561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.299

Distribution Coefficient, logD

3.299

Water Solubility, LogSw

-4.06

Polar Surface Area

87.529

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 0108-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0108-0025?
Check Price and Availability of 0108-0025, 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 0108-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0108-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0108-0025
  • 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 0108-0025 available by request