T640-0079 Screening compound: 1-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

T640-0079 Screening compound: 1-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
T640-0079 Screening compound: 1-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound T640-0079
1-(2,3-dihydro-1H-inden-5-yl)-5-methyl-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

T640-0079

Molecular Formula

C13H13N3O2 (C13 H13 N3 O2)

Compound Name

1-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

IUPAC name

1-(23-dihydro-1H-inden-5-yl)-5-methyl-1H-123-triazole-4-carboxylic acid

SMILES

Cc1c(C(O)=O)nnn1-c1cc(CCC2)c2cc1

InChI

InChI=1S/C13H13N3O2/c1-8-12(13(17)18)14-15-16(8)11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4H2,1H3,(H,17,18)

InChI Key

DKXBLKWAKIBPPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11540082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

243.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.660

Distribution Coefficient, logD

-4.507

Water Solubility, LogSw

-1.84

Polar Surface Area

55.776

Acid Dissociation Constant (pKa)

1.23

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

T640-0079 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T640-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T640-0079?
Check Price and Availability of T640-0079, 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 T640-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T640-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T640-0079
  • 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 T640-0079 available by request