8011-3468 Screening compound: 2-{[(6-nitro-1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-1,3-benzothiazole

8011-3468 Screening compound: 2-{[(6-nitro-1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-1,3-benzothiazole
8011-3468 Screening compound: 2-{[(6-nitro-1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-3468
2-{[(6-nitro-1H-1,3-benzodiazol-2-yl)methyl]sulfanyl}-1,3-benzothiazole

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

8011-3468

Molecular Formula

C15H10N4O2S2 (C15 H10 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)cc2c1nc(CSc1nc(cccc3)c3s1)[nH]2)=O

InChI

InChI=1S/C15H10N4O2S2/c20-19(21)9-5-6-10-12(7-9)17-14(16-10)8-22-15-18-11-3-1-2-4-13(11)23-15/h1-7H,8H2,(H,16,17)

InChI Key

CVJXGTXQPQJAIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01785180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.754

Distribution Coefficient, logD

4.753

Water Solubility, LogSw

-4.87

Polar Surface Area

62.711

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

References: we are preparing a list of scientific research reports with 8011-3468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-3468?
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What is the minimum amount of 8011-3468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-3468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-3468
  • 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 8011-3468 available by request