4486-0054 Screening compound: bis({[(4-nitrophenyl)methyl]sulfanyl})-1,2-thiazole-4-carbonitrile

4486-0054 Screening compound: bis({[(4-nitrophenyl)methyl]sulfanyl})-1,2-thiazole-4-carbonitrile
4486-0054 Screening compound: bis({[(4-nitrophenyl)methyl]sulfanyl})-1,2-thiazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4486-0054
bis({[(4-nitrophenyl)methyl]sulfanyl})-1,2-thiazole-4-carbonitrile

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

4486-0054

Molecular Formula

C18H12N4O4S3 (C18 H12 N4 O4 S3)

Compound Name

bis({[(4-nitrophenyl)methyl]sulfanyl})-1,2-thiazole-4-carbonitrile

IUPAC name

bis({[(4-nitrophenyl)methyl]sulfanyl})-12-thiazole-4-carbonitrile

SMILES

N#Cc1c(SCc(cc2)ccc2[N+]([O-])=O)snc1SCc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C18H12N4O4S3/c19-9-16-17(27-10-12-1-5-14(6-2-12)21(23)24)20-29-18(16)28-11-13-3-7-15(8-4-13)22(25)26/h1-8H,10-11H2

InChI Key

MORIEZVIIBHGJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01576033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.882

Distribution Coefficient, logD

4.882

Water Solubility, LogSw

-5.02

Polar Surface Area

94.138

Acid Dissociation Constant (pKa)

26.05

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 4486-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4486-0054?
Check Price and Availability of 4486-0054, 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 4486-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4486-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4486-0054
  • 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 4486-0054 available by request