C094-2068 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-{[(3-ethoxypropyl)carbamoyl](4-methoxyphenyl)methyl}propanamide

C094-2068 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-{[(3-ethoxypropyl)carbamoyl](4-methoxyphenyl)methyl}propanamide
C094-2068 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-{[(3-ethoxypropyl)carbamoyl](4-methoxyphenyl)methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-2068
3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-{[(3-ethoxypropyl)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

C094-2068

Molecular Formula

C31H46N2O5 (C31 H46 N2 O5)

Compound Name

3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-{[(3-ethoxypropyl)carbamoyl](4-methoxyphenyl)methyl}propanamide

IUPAC name

3-(35-di-tert-butyl-4-hydroxyphenyl)-N-{[(3-ethoxypropyl)carbamoyl](4-methoxyphenyl)methyl}propanamide

SMILES

CCOCCCNC(C(c(cc1)ccc1OC)NC(CCc(cc1C(C)(C)C)cc(C(C)(C)C)c1O)=O)=O

InChI

InChI=1S/C31H46N2O5/c1-9-38-18-10-17-32-29(36)27(22-12-14-23(37-8)15-13-22)33-26(34)16-11-21-19-24(30(2,3)4)28(35)25(20-21)31(5,6)7/h12-15,19-20,27,35H,9-11,16-18H2,1-8H3,(H,32,36)(H,33,34)/t27-/m1/s1

InChI Key

MEQWNJLVJFEIKA-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD03828789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.015

Distribution Coefficient, logD

5.015

Water Solubility, LogSw

-4.45

Polar Surface Area

79.317

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.80

C094-2068 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

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

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
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 C094-2068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-2068?
Check Price and Availability of C094-2068, 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 C094-2068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-2068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-2068
  • 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 C094-2068 available by request