D634-0231 Screening compound: N-(2-hydroxy-2-phenylethyl)-3-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamide

D634-0231 Screening compound: N-(2-hydroxy-2-phenylethyl)-3-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamide
D634-0231 Screening compound: N-(2-hydroxy-2-phenylethyl)-3-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D634-0231
N-(2-hydroxy-2-phenylethyl)-3-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamide

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

D634-0231

Molecular Formula

C25H25NO5 (C25 H25 NO5)

Compound Name

N-(2-hydroxy-2-phenylethyl)-3-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamide

IUPAC name

N-(2-hydroxy-2-phenylethyl)-3-{359-trimethyl-7-oxo-7H-furo[32-g]chromen-6-yl}propanamide

SMILES

Cc(c1c2)coc1c(C)c(O1)c2C(C)=C(CCC(NCC(c2ccccc2)O)=O)C1=O

InChI

InChI=1S/C25H25NO5/c1-14-13-30-23-16(3)24-20(11-19(14)23)15(2)18(25(29)31-24)9-10-22(28)26-12-21(27)17-7-5-4-6-8-17/h4-8,11,13,21,27H,9-10,12H2,1-3H3,(H,26,28)/t21-/m0/s1

InChI Key

XQRFSXNQASNPTJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD06769039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.358

Distribution Coefficient, logD

3.358

Water Solubility, LogSw

-3.46

Polar Surface Area

70.989

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

D634-0231 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D634-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D634-0231?
Check Price and Availability of D634-0231, 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 D634-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D634-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D634-0231
  • 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 D634-0231 available by request