8006-6383 Screening compound: 2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole

8006-6383 Screening compound: 2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole
8006-6383 Screening compound: 2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6383
2-{[(4-methoxy-3-nitrophenyl)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

8006-6383

Molecular Formula

C15H12N2O3S2 (C15 H12 N2 O3 S2)

Compound Name

2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole

IUPAC name

2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-13-benzothiazole

SMILES

COc(ccc(CSc1nc(cccc2)c2s1)c1)c1[N+]([O-])=O

InChI

InChI=1S/C15H12N2O3S2/c1-20-13-7-6-10(8-12(13)17(18)19)9-21-15-16-11-4-2-3-5-14(11)22-15/h2-8H,9H2,1H3

InChI Key

AGMOYBSXRXYPHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00754595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.279

Distribution Coefficient, logD

4.279

Water Solubility, LogSw

-4.43

Polar Surface Area

49.759

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 8006-6383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6383?
Check Price and Availability of 8006-6383, 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 8006-6383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6383
  • 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 8006-6383 available by request