C433-0014 Screening compound: 2-[5-(3-chlorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-(2-fluorophenyl)acetamide

C433-0014 Screening compound: 2-[5-(3-chlorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-(2-fluorophenyl)acetamide
C433-0014 Screening compound: 2-[5-(3-chlorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-(2-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C433-0014
2-[5-(3-chlorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-(2-fluorophenyl)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

C433-0014

Molecular Formula

C18H13ClFN5O3 (C18 H13 ClFN5 O3)

Compound Name

2-[5-(3-chlorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]-N-(2-fluorophenyl)acetamide

IUPAC name

2-[5-(3-chlorophenyl)-46-dioxo-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazol-1-yl]-N-(2-fluorophenyl)acetamide

SMILES

O=C(CN(C1C(N2c3cccc(Cl)c3)=O)N=NC1C2=O)Nc(cccc1)c1F

InChI

InChI=1S/C18H13ClFN5O3/c19-10-4-3-5-11(8-10)25-17(27)15-16(18(25)28)24(23-22-15)9-14(26)21-13-7-2-1-6-12(13)20/h1-8,15-16H,9H2,(H,21,26)

InChI Key

APKCQLUOHNWCRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.78

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.665

Distribution Coefficient, logD

1.665

Water Solubility, LogSw

-2.70

Polar Surface Area

79.824

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.70

C433-0014 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C433-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C433-0014?
Check Price and Availability of C433-0014, 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 C433-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C433-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C433-0014
  • 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 C433-0014 available by request