8019-7627 Screening compound: 5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]thiophene-3-carbaldehyde

8019-7627 Screening compound: 5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]thiophene-3-carbaldehyde
8019-7627 Screening compound: 5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]thiophene-3-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7627
5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]thiophene-3-carbaldehyde

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

8019-7627

Molecular Formula

C8H6N4O3S (C8 H6 N4 O3 S)

Compound Name

5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]thiophene-3-carbaldehyde

IUPAC name

5-[(3-nitro-1H-124-triazol-1-yl)methyl]thiophene-3-carbaldehyde

SMILES

[O-][N+](c1nn(Cc2cc(C=O)cs2)cn1)=O

InChI

InChI=1S/C8H6N4O3S/c13-3-6-1-7(16-4-6)2-11-5-9-8(10-11)12(14)15/h1,3-5H,2H2

InChI Key

LWUHRRYMPAGRRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10039395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.940

Distribution Coefficient, logD

0.940

Water Solubility, LogSw

-1.82

Polar Surface Area

71.812

Acid Dissociation Constant (pKa)

29.88

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8019-7627 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8019-7627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7627?
Check Price and Availability of 8019-7627, 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 8019-7627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7627
  • 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 8019-7627 available by request