8005-7705 Screening compound: N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3,5-dinitrobenzamide

8005-7705 Screening compound: N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3,5-dinitrobenzamide
8005-7705 Screening compound: N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7705
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3,5-dinitrobenzamide

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

8005-7705

Molecular Formula

C20H10Cl2N4O6 (C20 H10 Cl2 N4 O6)

Compound Name

N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3,5-dinitrobenzamide

IUPAC name

N-[2-(34-dichlorophenyl)-13-benzoxazol-5-yl]-35-dinitrobenzamide

SMILES

[O-][N+](c1cc(C(Nc(cc2)cc3c2oc(-c(cc2)cc(Cl)c2Cl)n3)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C20H10Cl2N4O6/c21-15-3-1-10(7-16(15)22)20-24-17-8-12(2-4-18(17)32-20)23-19(27)11-5-13(25(28)29)9-14(6-11)26(30)31/h1-9H,(H,23,27)

InChI Key

WFILCXDFEALVDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.23

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.715

Distribution Coefficient, logD

5.531

Water Solubility, LogSw

-6.17

Polar Surface Area

106.903

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8005-7705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7705?
Check Price and Availability of 8005-7705, 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 8005-7705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7705
  • 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 8005-7705 available by request