8004-0646 Screening compound: bis(4-chloro-3,5-dinitrophenyl)methanone

8004-0646 Screening compound: bis(4-chloro-3,5-dinitrophenyl)methanone
8004-0646 Screening compound: bis(4-chloro-3,5-dinitrophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-0646
bis(4-chloro-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

8004-0646

Molecular Formula

C13H4Cl2N4O9 (C13 H4 Cl2 N4 O9)

Compound Name

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

IUPAC name

bis(4-chloro-35-dinitrophenyl)methanone

SMILES

[O-][N+](c1cc(C(c(cc2[N+]([O-])=O)cc([N+]([O-])=O)c2Cl)=O)cc([N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C13H4Cl2N4O9/c14-11-7(16(21)22)1-5(2-8(11)17(23)24)13(20)6-3-9(18(25)26)12(15)10(4-6)19(27)28/h1-4H

InChI Key

WTXLNOWMVTWOHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00625764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.1

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

3.373

Distribution Coefficient, logD

3.373

Water Solubility, LogSw

-4.17

Polar Surface Area

146.028

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8004-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-0646?
Check Price and Availability of 8004-0646, 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 8004-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-0646
  • 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 8004-0646 available by request