8007-4197 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-{3-[2-(1,3-benzothiazol-2-ylsulfanyl)acetamido]-4-methylphenyl}acetamide

8007-4197 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-{3-[2-(1,3-benzothiazol-2-ylsulfanyl)acetamido]-4-methylphenyl}acetamide
8007-4197 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-{3-[2-(1,3-benzothiazol-2-ylsulfanyl)acetamido]-4-methylphenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4197
2-(1,3-benzothiazol-2-ylsulfanyl)-N-{3-[2-(1,3-benzothiazol-2-ylsulfanyl)acetamido]-4-methylphenyl}acetamide

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

8007-4197

Molecular Formula

C25H20N4O2S4 (C25 H20 N4 O2 S4)

Compound Name

2-(1,3-benzothiazol-2-ylsulfanyl)-N-{3-[2-(1,3-benzothiazol-2-ylsulfanyl)acetamido]-4-methylphenyl}acetamide

IUPAC name

2-(13-benzothiazol-2-ylsulfanyl)-N-{3-[2-(13-benzothiazol-2-ylsulfanyl)acetamido]-4-methylphenyl}acetamide

SMILES

Cc(ccc(NC(CSc1nc(cccc2)c2s1)=O)c1)c1NC(CSc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C25H20N4O2S4/c1-15-10-11-16(26-22(30)13-32-24-28-17-6-2-4-8-20(17)34-24)12-19(15)27-23(31)14-33-25-29-18-7-3-5-9-21(18)35-25/h2-12H,13-14H2,1H3,(H,26,30)(H,27,31)

InChI Key

QMGBCOBJEASFNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.72

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.168

Distribution Coefficient, logD

6.168

Water Solubility, LogSw

-5.41

Polar Surface Area

63.459

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 8007-4197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4197?
Check Price and Availability of 8007-4197, 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 8007-4197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4197
  • 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 8007-4197 available by request