Y031-7627 Screening compound: {[4-(butan-2-yl)phenyl]carbamoyl}formic acid

Y031-7627 Screening compound: {[4-(butan-2-yl)phenyl]carbamoyl}formic acid
Y031-7627 Screening compound: {[4-(butan-2-yl)phenyl]carbamoyl}formic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-7627
{[4-(butan-2-yl)phenyl]carbamoyl}formic 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

Y031-7627

Molecular Formula

C12H15NO3 (C12 H15 NO3)

Compound Name

{[4-(butan-2-yl)phenyl]carbamoyl}formic acid

IUPAC name

{[4-(butan-2-yl)phenyl]carbamoyl}formic acid

SMILES

CCC(C)c(cc1)ccc1NC(C(O)=O)=O

InChI

InChI=1S/C12H15NO3/c1-3-8(2)9-4-6-10(7-5-9)13-11(14)12(15)16/h4-8H,3H2,1-2H3,(H,13,14)(H,15,16)/t8-/m0/s1

InChI Key

LJTGMRFXTVRJOY-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD15181772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.712

Distribution Coefficient, logD

-2.034

Water Solubility, LogSw

-3.09

Polar Surface Area

52.009

Acid Dissociation Constant (pKa)

2.65

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

Y031-7627 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y031-7627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7627?
Check Price and Availability of Y031-7627, 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 Y031-7627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7627
  • 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 Y031-7627 available by request