8013-1370 Screening compound: 4-(aminomethyl)-2,5-dimethyl-3-furoic acid

8013-1370 Screening compound: 4-(aminomethyl)-2,5-dimethyl-3-furoic acid
8013-1370 Screening compound: 4-(aminomethyl)-2,5-dimethyl-3-furoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1370
4-(aminomethyl)-2,5-dimethyl-3-furoic 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

8013-1370

Molecular Formula

C8H11NO3 (C8 H11 NO3)

Compound Name

4-(aminomethyl)-2,5-dimethyl-3-furoic acid

IUPAC name

4-(aminomethyl)-25-dimethylfuran-3-carboxylic acid

SMILES

Cc1c(CN)c(C(O)=O)c(C)o1

InChI

InChI=1S/C8H11NO3/c1-4-6(3-9)7(8(10)11)5(2)12-4/h3,9H2,1-2H3,(H,10,11)

InChI Key

YOCHMFNEBPNGTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409249

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

169.18

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.120

Distribution Coefficient, logD

-0.120

Water Solubility, LogSw

0.38

Polar Surface Area

58.287

Acid Dissociation Constant (pKa)

5.18

Base Dissociation Constant (pKb)

11.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

8013-1370 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
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 8013-1370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1370?
Check Price and Availability of 8013-1370, 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 8013-1370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1370
  • 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 8013-1370 available by request