Y080-1381 Screening compound: 2-(2-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,3-benzodiazol-1-yl)acetamide

Y080-1381 Screening compound: 2-(2-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,3-benzodiazol-1-yl)acetamide
Y080-1381 Screening compound: 2-(2-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,3-benzodiazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1381
2-(2-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,3-benzodiazol-1-yl)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

Y080-1381

Molecular Formula

C21H25N3O (C21 H25 N3 O)

Compound Name

2-(2-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,3-benzodiazol-1-yl)acetamide

IUPAC name

2-(2-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-13-benzodiazol-1-yl)acetamide

SMILES

CC(C)Cc1ccc(C(C)c2nc(cccc3)c3n2CC(N)=O)cc1

InChI

InChI=1S/C21H25N3O/c1-14(2)12-16-8-10-17(11-9-16)15(3)21-23-18-6-4-5-7-19(18)24(21)13-20(22)25/h4-11,14-15H,12-13H2,1-3H3,(H2,22,25)/t15-/m1/s1

InChI Key

RAUVUHIQPVHHCJ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD13868717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.817

Distribution Coefficient, logD

4.816

Water Solubility, LogSw

-4.65

Polar Surface Area

43.555

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with Y080-1381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1381?
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What is the minimum amount of Y080-1381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1381
  • 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 Y080-1381 available by request