0627-0358 Screening compound: bis(4-methyl-3,5-dinitrophenyl)methanone

0627-0358 Screening compound: bis(4-methyl-3,5-dinitrophenyl)methanone
0627-0358 Screening compound: bis(4-methyl-3,5-dinitrophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 0627-0358
bis(4-methyl-3,5-dinitrophenyl)methanone

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

0627-0358

Molecular Formula

C15H10N4O9 (C15 H10 N4 O9)

Compound Name

bis(4-methyl-3,5-dinitrophenyl)methanone

IUPAC name

bis(4-methyl-35-dinitrophenyl)methanone

SMILES

Cc(c([N+]([O-])=O)cc(C(c1cc([N+]([O-])=O)c(C)c([N+]([O-])=O)c1)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C15H10N4O9/c1-7-11(16(21)22)3-9(4-12(7)17(23)24)15(20)10-5-13(18(25)26)8(2)14(6-10)19(27)28/h3-6H,1-2H3

InChI Key

KNOBUJAQSMBGDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00625769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.27

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.918

Distribution Coefficient, logD

2.918

Water Solubility, LogSw

-3.34

Polar Surface Area

146.028

Acid Dissociation Constant (pKa)

27.33

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

0627-0358 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0627-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0627-0358?
Check Price and Availability of 0627-0358, 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 0627-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0627-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0627-0358
  • 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 0627-0358 available by request