C094-0201 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl](4-methoxyphenyl)methyl}propanamide

C094-0201 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl](4-methoxyphenyl)methyl}propanamide
C094-0201 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl](4-methoxyphenyl)methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-0201
3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl](4-methoxyphenyl)methyl}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

C094-0201

Molecular Formula

C34H42N2O6 (C34 H42 N2 O6)

Compound Name

3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl](4-methoxyphenyl)methyl}propanamide

IUPAC name

3-(35-di-tert-butyl-4-hydroxyphenyl)-N-{[(23-dihydro-14-benzodioxin-6-yl)carbamoyl](4-methoxyphenyl)methyl}propanamide

SMILES

CC(C)(C)c1cc(CCC(NC(C(Nc(cc2)cc3c2OCCO3)=O)c(cc2)ccc2OC)=O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C34H42N2O6/c1-33(2,3)25-18-21(19-26(31(25)38)34(4,5)6)8-15-29(37)36-30(22-9-12-24(40-7)13-10-22)32(39)35-23-11-14-27-28(20-23)42-17-16-41-27/h9-14,18-20,30,38H,8,15-17H2,1-7H3,(H,35,39)(H,36,37)/t30-/m1/s1

InChI Key

RYVPHFFTKXAQJB-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD03449728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.72

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.234

Distribution Coefficient, logD

5.234

Water Solubility, LogSw

-4.90

Polar Surface Area

85.728

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

C094-0201 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C094-0201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-0201?
Check Price and Availability of C094-0201, 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 C094-0201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-0201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-0201
  • 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 C094-0201 available by request