4358-6253 Screening compound: 2-[(4-methanesulfonyl-2,6-dinitrophenyl)sulfanyl]-1,3-benzoxazole

4358-6253 Screening compound: 2-[(4-methanesulfonyl-2,6-dinitrophenyl)sulfanyl]-1,3-benzoxazole
4358-6253 Screening compound: 2-[(4-methanesulfonyl-2,6-dinitrophenyl)sulfanyl]-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-6253
2-[(4-methanesulfonyl-2,6-dinitrophenyl)sulfanyl]-1,3-benzoxazole

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

4358-6253

Molecular Formula

C14H9N3O7S2 (C14 H9 N3 O7 S2)

Compound Name

2-[(4-methanesulfonyl-2,6-dinitrophenyl)sulfanyl]-1,3-benzoxazole

IUPAC name

2-[(4-methanesulfonyl-26-dinitrophenyl)sulfanyl]-13-benzoxazole

SMILES

CS(c(cc1[N+]([O-])=O)cc([N+]([O-])=O)c1Sc1nc(cccc2)c2o1)(=O)=O

InChI

InChI=1S/C14H9N3O7S2/c1-26(22,23)8-6-10(16(18)19)13(11(7-8)17(20)21)25-14-15-9-4-2-3-5-12(9)24-14/h2-7H,1H3

InChI Key

VXCWKGYTKPACPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00723380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.37

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.066

Distribution Coefficient, logD

3.066

Water Solubility, LogSw

-3.53

Polar Surface Area

112.540

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 4358-6253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-6253?
Check Price and Availability of 4358-6253, 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 4358-6253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-6253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-6253
  • 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 4358-6253 available by request