8020-0811 Screening compound: 1-(3-{[(tert-butoxy)carbonyl]amino}propyl)-1H-1,2,3-triazole-4-carboxylic acid

8020-0811 Screening compound: 1-(3-{[(tert-butoxy)carbonyl]amino}propyl)-1H-1,2,3-triazole-4-carboxylic acid
8020-0811 Screening compound: 1-(3-{[(tert-butoxy)carbonyl]amino}propyl)-1H-1,2,3-triazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0811
1-(3-{[(tert-butoxy)carbonyl]amino}propyl)-1H-1,2,3-triazole-4-carboxylic 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

8020-0811

Molecular Formula

C11H18N4O4 (C11 H18 N4 O4)

Compound Name

1-(3-{[(tert-butoxy)carbonyl]amino}propyl)-1H-1,2,3-triazole-4-carboxylic acid

IUPAC name

1-(3-{[(tert-butoxy)carbonyl]amino}propyl)-1H-123-triazole-4-carboxylic acid

SMILES

CC(C)(C)OC(NCCCn1nnc(C(O)=O)c1)=O

InChI

InChI=1S/C11H18N4O4/c1-11(2,3)19-10(18)12-5-4-6-15-7-8(9(16)17)13-14-15/h7H,4-6H2,1-3H3,(H,12,18)(H,16,17)

InChI Key

MMRUFURNFSJYFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11098187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.738

Distribution Coefficient, logD

-3.648

Water Solubility, LogSw

-1.16

Polar Surface Area

87.127

Acid Dissociation Constant (pKa)

3.01

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.64

8020-0811 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8020-0811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0811?
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What is the minimum amount of 8020-0811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0811
  • 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 8020-0811 available by request