4657-0406 Screening compound: 6-[(2,4-dinitrophenyl)sulfanyl]-9H-purine

4657-0406 Screening compound: 6-[(2,4-dinitrophenyl)sulfanyl]-9H-purine
4657-0406 Screening compound: 6-[(2,4-dinitrophenyl)sulfanyl]-9H-purine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4657-0406
6-[(2,4-dinitrophenyl)sulfanyl]-9H-purine

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

4657-0406

Molecular Formula

C11H6N6O4S (C11 H6 N6 O4 S)

Compound Name

6-[(2,4-dinitrophenyl)sulfanyl]-9H-purine

IUPAC name

6-[(24-dinitrophenyl)sulfanyl]-9H-purine

SMILES

[O-][N+](c(cc1)cc([N+]([O-])=O)c1Sc1ncnc2c1nc[nH]2)=O

InChI

InChI=1S/C11H6N6O4S/c18-16(19)6-1-2-8(7(3-6)17(20)21)22-11-9-10(13-4-12-9)14-5-15-11/h1-5H,(H,12,13,14,15)

InChI Key

LMBQPUKTECHWGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01017151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.27

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.300

Distribution Coefficient, logD

2.300

Water Solubility, LogSw

-2.68

Polar Surface Area

108.997

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 4657-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4657-0406?
Check Price and Availability of 4657-0406, 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 4657-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4657-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4657-0406
  • 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 4657-0406 available by request