3510-0002 Screening compound: 2-{[(6-nitro-1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-1-phenyl-1H-1,3-benzodiazole

3510-0002 Screening compound: 2-{[(6-nitro-1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-1-phenyl-1H-1,3-benzodiazole
3510-0002 Screening compound: 2-{[(6-nitro-1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-1-phenyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3510-0002
2-{[(6-nitro-1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-1-phenyl-1H-1,3-benzodiazole

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

3510-0002

Molecular Formula

C21H15N5O2S (C21 H15 N5 O2 S)

Compound Name

2-{[(6-nitro-1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-1-phenyl-1H-1,3-benzodiazole

IUPAC name

2-{[(6-nitro-1H-13-benzodiazol-2-yl)methyl]sulfanyl}-1-phenyl-1H-13-benzodiazole

SMILES

[O-][N+](c(cc1)cc2c1nc(CSc1nc(cccc3)c3n1-c1ccccc1)[nH]2)=O

InChI

InChI=1S/C21H15N5O2S/c27-26(28)15-10-11-16-18(12-15)23-20(22-16)13-29-21-24-17-8-4-5-9-19(17)25(21)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23)

InChI Key

OHWRNIULPIKYMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.319

Distribution Coefficient, logD

5.198

Water Solubility, LogSw

-5.73

Polar Surface Area

64.884

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 3510-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3510-0002?
Check Price and Availability of 3510-0002, 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 3510-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3510-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3510-0002
  • 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 3510-0002 available by request