0105-0067 Screening compound: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-{4-chloro-3-[3-(2-methoxyphenyl)-3-oxopropanamido]phenyl}butanamide

0105-0067 Screening compound: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-{4-chloro-3-[3-(2-methoxyphenyl)-3-oxopropanamido]phenyl}butanamide
0105-0067 Screening compound: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-{4-chloro-3-[3-(2-methoxyphenyl)-3-oxopropanamido]phenyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0105-0067
4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-{4-chloro-3-[3-(2-methoxyphenyl)-3-oxopropanamido]phenyl}butanamide

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

0105-0067

Molecular Formula

C36H45ClN2O5 (C36 H45 ClN2 O5)

Compound Name

4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-{4-chloro-3-[3-(2-methoxyphenyl)-3-oxopropanamido]phenyl}butanamide

IUPAC name

4-[24-bis(2-methylbutan-2-yl)phenoxy]-N-{4-chloro-3-[3-(2-methoxyphenyl)-3-oxopropanamido]phenyl}butanamide

SMILES

CCC(C)(C)c(cc1)cc(C(C)(C)CC)c1OCCCC(Nc(cc1)cc(NC(CC(c(cccc2)c2OC)=O)=O)c1Cl)=O

InChI

InChI=1S/C36H45ClN2O5/c1-8-35(3,4)24-16-19-32(27(21-24)36(5,6)9-2)44-20-12-15-33(41)38-25-17-18-28(37)29(22-25)39-34(42)23-30(40)26-13-10-11-14-31(26)43-7/h10-11,13-14,16-19,21-22H,8-9,12,15,20,23H2,1-7H3,(H,38,41)(H,39,42)

InChI Key

JKIBNXXEMFYHLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00601784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

621.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.972

Distribution Coefficient, logD

7.966

Water Solubility, LogSw

-6.42

Polar Surface Area

73.678

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

0105-0067 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0105-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0105-0067?
Check Price and Availability of 0105-0067, 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 0105-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0105-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0105-0067
  • 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 0105-0067 available by request