0149-0061 Screening compound: 1,4-bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl] (2Z)-but-2-enedioate

0149-0061 Screening compound: 1,4-bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl] (2Z)-but-2-enedioate
0149-0061 Screening compound: 1,4-bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl] (2Z)-but-2-enedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0149-0061
1,4-bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl] (2Z)-but-2-enedioate

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

0149-0061

Molecular Formula

C38H56O6 (C38 H56 O6)

Compound Name

1,4-bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl] (2Z)-but-2-enedioate

IUPAC name

14-bis[3-(35-di-tert-butyl-4-hydroxyphenyl)propyl] (2Z)-but-2-enedioate

SMILES

CC(C)(C)c1cc(CCCOC(/C=C\C(OCCCc(cc2C(C)(C)C)cc(C(C)(C)C)c2O)=O)=O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C38H56O6/c1-35(2,3)27-21-25(22-28(33(27)41)36(4,5)6)15-13-19-43-31(39)17-18-32(40)44-20-14-16-26-23-29(37(7,8)9)34(42)30(24-26)38(10,11)12/h17-18,21-24,41-42H,13-16,19-20H2,1-12H3

InChI Key

MNTVETOFCNDPDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

608.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

10.731

Distribution Coefficient, logD

10.731

Water Solubility, LogSw

-5.49

Polar Surface Area

71.831

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

0149-0061 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Lipid Metabolism Library (9174 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 0149-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0149-0061?
Check Price and Availability of 0149-0061, 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 0149-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0149-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0149-0061
  • 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 0149-0061 available by request