Y030-8636 Screening compound: methyl 2-[(tetrahydro-2-furanylcarbonyl)amino]benzoate

Y030-8636 Screening compound: methyl 2-[(tetrahydro-2-furanylcarbonyl)amino]benzoate
Y030-8636 Screening compound: methyl 2-[(tetrahydro-2-furanylcarbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-8636
methyl 2-[(tetrahydro-2-furanylcarbonyl)amino]benzoate

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

Y030-8636

Molecular Formula

C13H15NO4 (C13 H15 NO4)

Compound Name

methyl 2-[(tetrahydro-2-furanylcarbonyl)amino]benzoate

IUPAC name

methyl 2-(oxolane-2-amido)benzoate

SMILES

COC(c(cccc1)c1NC(C1OCCC1)=O)=O

InChI

InChI=1S/C13H15NO4/c1-17-13(16)9-5-2-3-6-10(9)14-12(15)11-7-4-8-18-11/h2-3,5-6,11H,4,7-8H2,1H3,(H,14,15)/t11-/m0/s1

InChI Key

RBBLRGUKNBEQKE-NSHDSACASA-N

MDL Number (MFCD)

MFCD02607979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.537

Distribution Coefficient, logD

1.497

Water Solubility, LogSw

-2.19

Polar Surface Area

52.218

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

Y030-8636 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with Y030-8636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-8636?
Check Price and Availability of Y030-8636, 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 Y030-8636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-8636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-8636
  • 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 Y030-8636 available by request