3823-0037 Screening compound: 2-[2-(propan-2-ylsulfanyl)-1H-1,3-benzodiazol-1-yl]acetamide

3823-0037 Screening compound: 2-[2-(propan-2-ylsulfanyl)-1H-1,3-benzodiazol-1-yl]acetamide
3823-0037 Screening compound: 2-[2-(propan-2-ylsulfanyl)-1H-1,3-benzodiazol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3823-0037
2-[2-(propan-2-ylsulfanyl)-1H-1,3-benzodiazol-1-yl]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

3823-0037

Molecular Formula

C12H15N3OS (C12 H15 N3 OS)

Compound Name

2-[2-(propan-2-ylsulfanyl)-1H-1,3-benzodiazol-1-yl]acetamide

IUPAC name

2-[2-(propan-2-ylsulfanyl)-1H-13-benzodiazol-1-yl]acetamide

SMILES

CC(C)Sc1nc(cccc2)c2n1CC(N)=O

InChI

InChI=1S/C12H15N3OS/c1-8(2)17-12-14-9-5-3-4-6-10(9)15(12)7-11(13)16/h3-6,8H,7H2,1-2H3,(H2,13,16)

InChI Key

IDHKKVPUYYYKHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02820259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.306

Distribution Coefficient, logD

2.296

Water Solubility, LogSw

-2.62

Polar Surface Area

44.408

Acid Dissociation Constant (pKa)

15.24

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3823-0037 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3823-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3823-0037?
Check Price and Availability of 3823-0037, 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 3823-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3823-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3823-0037
  • 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 3823-0037 available by request