C505-0446 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methanesulfonyl-1,3-benzothiazol-2-amine

C505-0446 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methanesulfonyl-1,3-benzothiazol-2-amine
C505-0446 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methanesulfonyl-1,3-benzothiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C505-0446
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methanesulfonyl-1,3-benzothiazol-2-amine

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

C505-0446

Molecular Formula

C17H15N3O3S3 (C17 H15 N3 O3 S3)

Compound Name

N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methanesulfonyl-1,3-benzothiazol-2-amine

IUPAC name

N-(6-ethoxy-13-benzothiazol-2-yl)-6-methanesulfonyl-13-benzothiazol-2-amine

SMILES

CCOc(cc1)cc2c1nc(Nc1nc(ccc(S(C)(=O)=O)c3)c3s1)s2

InChI

InChI=1S/C17H15N3O3S3/c1-3-23-10-4-6-12-14(8-10)24-16(18-12)20-17-19-13-7-5-11(26(2,21)22)9-15(13)25-17/h4-9H,3H2,1-2H3,(H,18,19,20)

InChI Key

LZFOVNAVQVJALW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05892766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.499

Distribution Coefficient, logD

4.499

Water Solubility, LogSw

-4.29

Polar Surface Area

65.546

Acid Dissociation Constant (pKa)

18.65

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with C505-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C505-0446?
Check Price and Availability of C505-0446, 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 C505-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C505-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C505-0446
  • 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 C505-0446 available by request