8475-0117 Screening compound: N-(5-bromo-1,3-thiazol-2-yl)-2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide

8475-0117 Screening compound: N-(5-bromo-1,3-thiazol-2-yl)-2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide
8475-0117 Screening compound: N-(5-bromo-1,3-thiazol-2-yl)-2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8475-0117
N-(5-bromo-1,3-thiazol-2-yl)-2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]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

8475-0117

Molecular Formula

C13H11BrN4O2S2 (C13 H11 BrN4 O2 S2)

Compound Name

N-(5-bromo-1,3-thiazol-2-yl)-2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide

IUPAC name

N-(5-bromo-13-thiazol-2-yl)-2-[(5-methoxy-1H-13-benzodiazol-2-yl)sulfanyl]acetamide

SMILES

COc(cc1)cc2c1[nH]c(SCC(Nc(s1)ncc1Br)=O)n2

InChI

InChI=1S/C13H11BrN4O2S2/c1-20-7-2-3-8-9(4-7)17-13(16-8)21-6-11(19)18-12-15-5-10(14)22-12/h2-5H,6H2,1H3,(H,16,17)(H,15,18,19)

InChI Key

PQQWHSHPLMWZCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07792615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.140

Distribution Coefficient, logD

3.107

Water Solubility, LogSw

-3.36

Polar Surface Area

59.241

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

8475-0117 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8475-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8475-0117?
Check Price and Availability of 8475-0117, 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 8475-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8475-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8475-0117
  • 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 8475-0117 available by request