C278-0052 Screening compound: 2-acetamido-4-methanesulfonyl-N-(4H-1,2,4-triazol-3-yl)butanamide

C278-0052 Screening compound: 2-acetamido-4-methanesulfonyl-N-(4H-1,2,4-triazol-3-yl)butanamide
C278-0052 Screening compound: 2-acetamido-4-methanesulfonyl-N-(4H-1,2,4-triazol-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C278-0052
2-acetamido-4-methanesulfonyl-N-(4H-1,2,4-triazol-3-yl)butanamide

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

C278-0052

Molecular Formula

C9H15N5O4S (C9 H15 N5 O4 S)

Compound Name

2-acetamido-4-methanesulfonyl-N-(4H-1,2,4-triazol-3-yl)butanamide

IUPAC name

n/a

SMILES

CC(NC(CCS(C)(=O)=O)C(Nc1nnc[nH]1)=O)=O

InChI

InChI=1S/C9H15N5O4S/c1-6(15)12-7(3-4-19(2,17)18)8(16)13-9-10-5-11-14-9/h5,7H,3-4H2,1-2H3,(H,12,15)(H2,10,11,13,14,16)/t7-/m0/s1

InChI Key

BCJQFVBTGAXGKD-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD04462381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-2.668

Distribution Coefficient, logD

-2.696

Water Solubility, LogSw

-1.61

Polar Surface Area

113.666

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

C278-0052 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C278-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C278-0052?
Check Price and Availability of C278-0052, 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 C278-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C278-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C278-0052
  • 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 C278-0052 available by request