D178-0015 Screening compound: N-{4-[(2-phenylethyl)carbamoyl]phenyl}-3,4-dihydro-1H-2-benzopyran-1-carboxamide

D178-0015 Screening compound: N-{4-[(2-phenylethyl)carbamoyl]phenyl}-3,4-dihydro-1H-2-benzopyran-1-carboxamide
D178-0015 Screening compound: N-{4-[(2-phenylethyl)carbamoyl]phenyl}-3,4-dihydro-1H-2-benzopyran-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D178-0015
N-{4-[(2-phenylethyl)carbamoyl]phenyl}-3,4-dihydro-1H-2-benzopyran-1-carboxamide

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

D178-0015

Molecular Formula

C25H24N2O3 (C25 H24 N2 O3)

Compound Name

N-{4-[(2-phenylethyl)carbamoyl]phenyl}-3,4-dihydro-1H-2-benzopyran-1-carboxamide

IUPAC name

N-{4-[(2-phenylethyl)carbamoyl]phenyl}-34-dihydro-1H-2-benzopyran-1-carboxamide

SMILES

O=C(C1OCCc2c1cccc2)Nc(cc1)ccc1C(NCCc1ccccc1)=O

InChI

InChI=1S/C25H24N2O3/c28-24(26-16-14-18-6-2-1-3-7-18)20-10-12-21(13-11-20)27-25(29)23-22-9-5-4-8-19(22)15-17-30-23/h1-13,23H,14-17H2,(H,26,28)(H,27,29)/t23-/m1/s1

InChI Key

RRUZOPLUDIOADZ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14813621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-3.55

Polar Surface Area

55.975

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D178-0015 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 D178-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D178-0015?
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What is the minimum amount of D178-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D178-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D178-0015
  • 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 D178-0015 available by request