8006-7428 Screening compound: 2-(1H-1,3-benzimidazol-2-ylsulfanyl)-N,N-dimethylacetamide

8006-7428 Screening compound: 2-(1H-1,3-benzimidazol-2-ylsulfanyl)-N,N-dimethylacetamide
8006-7428 Screening compound: 2-(1H-1,3-benzimidazol-2-ylsulfanyl)-N,N-dimethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-7428
2-(1H-1,3-benzimidazol-2-ylsulfanyl)-N,N-dimethylacetamide

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

8006-7428

Molecular Formula

C11H13N3OS (C11 H13 N3 OS)

Compound Name

2-(1H-1,3-benzimidazol-2-ylsulfanyl)-N,N-dimethylacetamide

IUPAC name

2-(1H-13-benzodiazol-2-ylsulfanyl)-NN-dimethylacetamide

SMILES

CN(C)C(CSc1nc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C11H13N3OS/c1-14(2)10(15)7-16-11-12-8-5-3-4-6-9(8)13-11/h3-6H,7H2,1-2H3,(H,12,13)

InChI Key

MVLQYHWVADXSJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00826449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.928

Distribution Coefficient, logD

0.904

Water Solubility, LogSw

-2.10

Polar Surface Area

33.725

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

8006-7428 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8006-7428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-7428?
Check Price and Availability of 8006-7428, 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 8006-7428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-7428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-7428
  • 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 8006-7428 available by request