C338-0427 Screening compound: N-(3-chloro-4-fluorophenyl)-2-[5-(3,4-difluorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamide

C338-0427 Screening compound: N-(3-chloro-4-fluorophenyl)-2-[5-(3,4-difluorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamide
C338-0427 Screening compound: N-(3-chloro-4-fluorophenyl)-2-[5-(3,4-difluorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C338-0427
N-(3-chloro-4-fluorophenyl)-2-[5-(3,4-difluorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]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

C338-0427

Molecular Formula

C18H11ClF3N5O3 (C18 H11 ClF3 N5 O3)

Compound Name

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

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-[5-(34-difluorophenyl)-46-dioxo-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazol-1-yl]acetamide

SMILES

O=C(CN(C1C(N2c(cc3)cc(F)c3F)=O)N=NC1C2=O)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C18H11ClF3N5O3/c19-10-5-8(1-3-11(10)20)23-14(28)7-26-16-15(24-25-26)17(29)27(18(16)30)9-2-4-12(21)13(22)6-9/h1-6,15-16H,7H2,(H,23,28)

InChI Key

GJLAKSYCGCTIRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.77

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

2.344

Distribution Coefficient, logD

2.335

Water Solubility, LogSw

-3.35

Polar Surface Area

80.522

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.70

C338-0427 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 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 C338-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C338-0427?
Check Price and Availability of C338-0427, 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 C338-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C338-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C338-0427
  • 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 C338-0427 available by request