R052-2666 Screening compound: 4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid

R052-2666 Screening compound: 4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid
R052-2666 Screening compound: 4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2666
4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid

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

R052-2666

Molecular Formula

C6H8N4O4 (C6 H8 N4 O4)

Compound Name

4-(3-nitro-1H-1,2,4-triazol-1-yl)butanoic acid

IUPAC name

4-(3-nitro-1H-124-triazol-1-yl)butanoic acid

SMILES

[O-][N+](c1nn(CCCC(O)=O)cn1)=O

InChI

InChI=1S/C6H8N4O4/c11-5(12)2-1-3-9-4-7-6(8-9)10(13)14/h4H,1-3H2,(H,11,12)

InChI Key

VKHMLQUUROMVFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

200.15

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.910

Distribution Coefficient, logD

-3.629

Water Solubility, LogSw

-0.74

Polar Surface Area

85.268

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

R052-2666 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with R052-2666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2666?
Check Price and Availability of R052-2666, 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 R052-2666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2666
  • 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 R052-2666 available by request