8015-9654 Screening compound: N~4~-(4-{[(2,3-dimethoxyphenethyl)amino]carbonyl}phenyl)-4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carboxamide

8015-9654 Screening compound: N~4~-(4-{[(2,3-dimethoxyphenethyl)amino]carbonyl}phenyl)-4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carboxamide
8015-9654 Screening compound: N~4~-(4-{[(2,3-dimethoxyphenethyl)amino]carbonyl}phenyl)-4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-9654
N~4~-(4-{[(2,3-dimethoxyphenethyl)amino]carbonyl}phenyl)-4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-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

8015-9654

Molecular Formula

C30H34N2O6 (C30 H34 N2 O6)

Compound Name

N~4~-(4-{[(2,3-dimethoxyphenethyl)amino]carbonyl}phenyl)-4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carboxamide

IUPAC name

N-(4-{[2-(23-dimethoxyphenyl)ethyl]carbamoyl}phenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide

SMILES

COc1ccc(C2(CCOCC2)C(Nc(cc2)ccc2C(NCCc(cccc2OC)c2OC)=O)=O)cc1

InChI

InChI=1S/C30H34N2O6/c1-35-25-13-9-23(10-14-25)30(16-19-38-20-17-30)29(34)32-24-11-7-22(8-12-24)28(33)31-18-15-21-5-4-6-26(36-2)27(21)37-3/h4-14H,15-20H2,1-3H3,(H,31,33)(H,32,34)

InChI Key

COALKNFTWCPANZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03863260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.383

Distribution Coefficient, logD

4.372

Water Solubility, LogSw

-4.42

Polar Surface Area

78.305

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8015-9654 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 8015-9654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-9654?
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What is the minimum amount of 8015-9654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-9654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-9654
  • 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 8015-9654 available by request