3627-0048 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(2-nitrophenyl)acetamide

3627-0048 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(2-nitrophenyl)acetamide
3627-0048 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(2-nitrophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3627-0048
2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(2-nitrophenyl)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

3627-0048

Molecular Formula

C15H12N4O3S (C15 H12 N4 O3 S)

Compound Name

2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(2-nitrophenyl)acetamide

IUPAC name

2-(1H-13-benzodiazol-2-ylsulfanyl)-N-(2-nitrophenyl)acetamide

SMILES

[O-][N+](c(cccc1)c1NC(CSc1nc(cccc2)c2[nH]1)=O)=O

InChI

InChI=1S/C15H12N4O3S/c20-14(16-12-7-3-4-8-13(12)19(21)22)9-23-15-17-10-5-1-2-6-11(10)18-15/h1-8H,9H2,(H,16,20)(H,17,18)

InChI Key

FMYUHAKWLSNXNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01423766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.600

Distribution Coefficient, logD

2.588

Water Solubility, LogSw

-3.10

Polar Surface Area

73.512

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

3627-0048 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3627-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3627-0048?
Check Price and Availability of 3627-0048, 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 3627-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3627-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3627-0048
  • 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 3627-0048 available by request