D016-0648 Screening compound: 1-[5-(3-{[(2-ethoxyphenyl)methyl]amino}-2-hydroxypropoxy)-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl]ethan-1-one

D016-0648 Screening compound: 1-[5-(3-{[(2-ethoxyphenyl)methyl]amino}-2-hydroxypropoxy)-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl]ethan-1-one
D016-0648 Screening compound: 1-[5-(3-{[(2-ethoxyphenyl)methyl]amino}-2-hydroxypropoxy)-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D016-0648
1-[5-(3-{[(2-ethoxyphenyl)methyl]amino}-2-hydroxypropoxy)-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl]ethan-1-one

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

D016-0648

Molecular Formula

C30H34N2O4 (C30 H34 N2 O4)

Compound Name

1-[5-(3-{[(2-ethoxyphenyl)methyl]amino}-2-hydroxypropoxy)-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl]ethan-1-one

IUPAC name

1-[5-(3-{[(2-ethoxyphenyl)methyl]amino}-2-hydroxypropoxy)-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl]ethan-1-one

SMILES

CCOc1c(CNCC(COc(cc2)cc(c(C(C)=O)c3C)c2n3-c2ccc(C)cc2)O)cccc1

InChI

InChI=1S/C30H34N2O4/c1-5-35-29-9-7-6-8-23(29)17-31-18-25(34)19-36-26-14-15-28-27(16-26)30(22(4)33)21(3)32(28)24-12-10-20(2)11-13-24/h6-16,25,31,34H,5,17-19H2,1-4H3/t25-/m0/s1

InChI Key

XFOCIDRBBPJOQI-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14810866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.348

Distribution Coefficient, logD

3.543

Water Solubility, LogSw

-5.35

Polar Surface Area

59.104

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

9.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with D016-0648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D016-0648?
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What is the minimum amount of D016-0648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D016-0648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D016-0648
  • 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 D016-0648 available by request