D011-1597 Screening compound: N-[8-hydroxy-6-(3-methylphenoxy)-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]acetamide

D011-1597 Screening compound: N-[8-hydroxy-6-(3-methylphenoxy)-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]acetamide
D011-1597 Screening compound: N-[8-hydroxy-6-(3-methylphenoxy)-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-1597
N-[8-hydroxy-6-(3-methylphenoxy)-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-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

D011-1597

Molecular Formula

C22H25NO6 (C22 H25 NO6)

Compound Name

N-[8-hydroxy-6-(3-methylphenoxy)-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]acetamide

IUPAC name

N-[(4aR6S7R8R8aS)-8-hydroxy-6-(3-methylphenoxy)-2-phenyl-hexahydro-2H-pyrano[32-d][13]dioxin-7-yl]acetamide

SMILES

CC(N[C@@H]([C@@H]1O)[C@@H](Oc2cc(C)ccc2)O[C@@H]2[C@@H]1OC(c1ccccc1)OC2)=O

InChI

InChI=1S/C22H25NO6/c1-13-7-6-10-16(11-13)27-22-18(23-14(2)24)19(25)20-17(28-22)12-26-21(29-20)15-8-4-3-5-9-15/h3-11,17-22,25H,12H2,1-2H3,(H,23,24)/t17-,18+,19+,20-,21?,22+/m1/s1

InChI Key

ZMKLAGSQNFRRBF-WCCKZFLQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.033

Distribution Coefficient, logD

2.033

Water Solubility, LogSw

-2.54

Polar Surface Area

73.186

Acid Dissociation Constant (pKa)

15.13

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with D011-1597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-1597?
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What is the minimum amount of D011-1597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-1597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-1597
  • 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 D011-1597 available by request