2726-0031 Screening compound: N-[2,6-bis(propan-2-yl)phenyl]-N-[(2-hydroxyphenyl)methyl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide

2726-0031 Screening compound: N-[2,6-bis(propan-2-yl)phenyl]-N-[(2-hydroxyphenyl)methyl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide
2726-0031 Screening compound: N-[2,6-bis(propan-2-yl)phenyl]-N-[(2-hydroxyphenyl)methyl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2726-0031
N-[2,6-bis(propan-2-yl)phenyl]-N-[(2-hydroxyphenyl)methyl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide

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

2726-0031

Molecular Formula

C31H39NO3 (C31 H39 NO3)

Compound Name

N-[2,6-bis(propan-2-yl)phenyl]-N-[(2-hydroxyphenyl)methyl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide

IUPAC name

N-[26-bis(propan-2-yl)phenyl]-N-[(2-hydroxyphenyl)methyl]-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide

SMILES

CC(C)c(ccc(C)c1)c1OCC(N(Cc(cccc1)c1O)c1c(C(C)C)cccc1C(C)C)=O

InChI

InChI=1S/C31H39NO3/c1-20(2)25-16-15-23(7)17-29(25)35-19-30(34)32(18-24-11-8-9-14-28(24)33)31-26(21(3)4)12-10-13-27(31)22(5)6/h8-17,20-22,33H,18-19H2,1-7H3

InChI Key

ZUVNDTJABRFXSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.053

Distribution Coefficient, logD

8.053

Water Solubility, LogSw

-5.37

Polar Surface Area

38.594

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.70

2726-0031 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2726-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2726-0031?
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What is the minimum amount of 2726-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2726-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2726-0031
  • 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 2726-0031 available by request