0917-0337 Screening compound: 3-(2-methyl-3,5-dinitrobenzoyloxy)phenyl 2-methyl-3,5-dinitrobenzoate

0917-0337 Screening compound: 3-(2-methyl-3,5-dinitrobenzoyloxy)phenyl 2-methyl-3,5-dinitrobenzoate
0917-0337 Screening compound: 3-(2-methyl-3,5-dinitrobenzoyloxy)phenyl 2-methyl-3,5-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0917-0337
3-(2-methyl-3,5-dinitrobenzoyloxy)phenyl 2-methyl-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

0917-0337

Molecular Formula

C22H14N4O12 (C22 H14 N4 O12)

Compound Name

3-(2-methyl-3,5-dinitrobenzoyloxy)phenyl 2-methyl-3,5-dinitrobenzoate

IUPAC name

3-(2-methyl-35-dinitrobenzoyloxy)phenyl 2-methyl-35-dinitrobenzoate

SMILES

Cc(c([N+]([O-])=O)cc([N+]([O-])=O)c1)c1C(Oc1cccc(OC(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2C)=O)c1)=O

InChI

InChI=1S/C22H14N4O12/c1-11-17(6-13(23(29)30)8-19(11)25(33)34)21(27)37-15-4-3-5-16(10-15)38-22(28)18-7-14(24(31)32)9-20(12(18)2)26(35)36/h3-10H,1-2H3

InChI Key

VRWKKBSDSMFZLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00655148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.37

Hydrogen Bond Acceptors Count

22.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

4.599

Distribution Coefficient, logD

4.599

Water Solubility, LogSw

-4.61

Polar Surface Area

173.918

Acid Dissociation Constant (pKa)

26.53

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

0917-0337 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0917-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0917-0337?
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What is the minimum amount of 0917-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0917-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0917-0337
  • 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 0917-0337 available by request