3167-0451 Screening compound: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide

3167-0451 Screening compound: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
3167-0451 Screening compound: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3167-0451
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)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

3167-0451

Molecular Formula

C17H17N3OS2 (C17 H17 N3 OS2)

Compound Name

2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide

IUPAC name

2-[(6-amino-13-benzothiazol-2-yl)sulfanyl]-N-(26-dimethylphenyl)acetamide

SMILES

Cc1cccc(C)c1NC(CSc1nc(ccc(N)c2)c2s1)=O

InChI

InChI=1S/C17H17N3OS2/c1-10-4-3-5-11(2)16(10)20-15(21)9-22-17-19-13-7-6-12(18)8-14(13)23-17/h3-8H,9,18H2,1-2H3,(H,20,21)

InChI Key

FOJCXDHSVUCZOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00502948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.445

Distribution Coefficient, logD

3.445

Water Solubility, LogSw

-3.76

Polar Surface Area

51.608

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 3167-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3167-0451?
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What is the minimum amount of 3167-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3167-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3167-0451
  • 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 3167-0451 available by request