1482-0036 Screening compound: N-(2,5-dimethylphenyl)-4-(3,5-dimethylphenyl)-3-methylbutanamide

1482-0036 Screening compound: N-(2,5-dimethylphenyl)-4-(3,5-dimethylphenyl)-3-methylbutanamide
1482-0036 Screening compound: N-(2,5-dimethylphenyl)-4-(3,5-dimethylphenyl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1482-0036
N-(2,5-dimethylphenyl)-4-(3,5-dimethylphenyl)-3-methylbutanamide

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

1482-0036

Molecular Formula

C21H27NO (C21 H27 NO)

Compound Name

N-(2,5-dimethylphenyl)-4-(3,5-dimethylphenyl)-3-methylbutanamide

IUPAC name

N-(25-dimethylphenyl)-4-(35-dimethylphenyl)-3-methylbutanamide

SMILES

CC(CC(Nc1c(C)ccc(C)c1)=O)Cc1cc(C)cc(C)c1

InChI

InChI=1S/C21H27NO/c1-14-6-7-18(5)20(12-14)22-21(23)13-17(4)11-19-9-15(2)8-16(3)10-19/h6-10,12,17H,11,13H2,1-5H3,(H,22,23)/t17-/m1/s1

InChI Key

VITHPKGQYNUIRN-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD00582456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.650

Distribution Coefficient, logD

5.650

Water Solubility, LogSw

-5.33

Polar Surface Area

22.418

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

1482-0036 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 1482-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1482-0036?
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What is the minimum amount of 1482-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1482-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1482-0036
  • 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 1482-0036 available by request