C094-0388 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methyl-N-[phenyl({[4-(propan-2-yl)phenyl]carbamoyl})methyl]propanamide

C094-0388 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methyl-N-[phenyl({[4-(propan-2-yl)phenyl]carbamoyl})methyl]propanamide
C094-0388 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methyl-N-[phenyl({[4-(propan-2-yl)phenyl]carbamoyl})methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-0388
3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-methyl-N-[phenyl({[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

C094-0388

Molecular Formula

C35H46N2O3 (C35 H46 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1NC(C(c1ccccc1)N(C)C(CCc(cc1C(C)(C)C)cc(C(C)(C)C)c1O)=O)=O

InChI

InChI=1S/C35H46N2O3/c1-23(2)25-16-18-27(19-17-25)36-33(40)31(26-13-11-10-12-14-26)37(9)30(38)20-15-24-21-28(34(3,4)5)32(39)29(22-24)35(6,7)8/h10-14,16-19,21-23,31,39H,15,20H2,1-9H3,(H,36,40)/t31-/m1/s1

InChI Key

FOSLZUGFVQVHHT-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD03828659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.76

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

8.086

Distribution Coefficient, logD

8.086

Water Solubility, LogSw

-5.60

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

42.90

C094-0388 in Drug Discovery

Included in Screening Libraries

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 C094-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-0388?
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What is the minimum amount of C094-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-0388
  • 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 C094-0388 available by request