C094-0389 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methyl-N-[(4-methylphenyl)({[4-(propan-2-yl)phenyl]carbamoyl})methyl]propanamide

C094-0389 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methyl-N-[(4-methylphenyl)({[4-(propan-2-yl)phenyl]carbamoyl})methyl]propanamide
C094-0389 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methyl-N-[(4-methylphenyl)({[4-(propan-2-yl)phenyl]carbamoyl})methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-0389
3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methyl-N-[(4-methylphenyl)({[4-(propan-2-yl)phenyl]carbamoyl})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

C094-0389

Molecular Formula

C36H48N2O3 (C36 H48 N2 O3)

Compound Name

3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methyl-N-[(4-methylphenyl)({[4-(propan-2-yl)phenyl]carbamoyl})methyl]propanamide

IUPAC name

3-(35-di-tert-butyl-4-hydroxyphenyl)-N-methyl-N-[(4-methylphenyl)({[4-(propan-2-yl)phenyl]carbamoyl})methyl]propanamide

SMILES

CC(C)c(cc1)ccc1NC(C(c1ccc(C)cc1)N(C)C(CCc(cc1C(C)(C)C)cc(C(C)(C)C)c1O)=O)=O

InChI

InChI=1S/C36H48N2O3/c1-23(2)26-16-18-28(19-17-26)37-34(41)32(27-14-11-24(3)12-15-27)38(10)31(39)20-13-25-21-29(35(4,5)6)33(40)30(22-25)36(7,8)9/h11-12,14-19,21-23,32,40H,13,20H2,1-10H3,(H,37,41)/t32-/m1/s1

InChI Key

VFSSWTVXLVFUII-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD03828660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.505

Distribution Coefficient, logD

8.505

Water Solubility, LogSw

-5.53

Polar Surface Area

53.223

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

C094-0389 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C094-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-0389?
Check Price and Availability of C094-0389, 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 C094-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-0389
  • 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 C094-0389 available by request