D011-1728 Screening compound: (3aR,5S,5aS,8aS,8bR)-N~5~-(2,4-dimethoxyphenyl)-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide

D011-1728 Screening compound: (3aR,5S,5aS,8aS,8bR)-N~5~-(2,4-dimethoxyphenyl)-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide
D011-1728 Screening compound: (3aR,5S,5aS,8aS,8bR)-N~5~-(2,4-dimethoxyphenyl)-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-1728
(3aR,5S,5aS,8aS,8bR)-N~5~-(2,4-dimethoxyphenyl)-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-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

D011-1728

Molecular Formula

C20H27NO8 (C20 H27 NO8)

Compound Name

(3aR,5S,5aS,8aS,8bR)-N~5~-(2,4-dimethoxyphenyl)-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide

IUPAC name

(1S2R6R8S9R)-N-(24-dimethoxyphenyl)-441111-tetramethyl-3571012-pentaoxatricyclo[7.3.0.0^{26}]dodecane-8-carboxamide

SMILES

CC1(C)O[C@H]2[C@@H](C(Nc(ccc(OC)c3)c3OC)=O)O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1

InChI

InChI=1S/C20H27NO8/c1-19(2)26-13-14(27-19)16-18(29-20(3,4)28-16)25-15(13)17(22)21-11-8-7-10(23-5)9-12(11)24-6/h7-9,13-16,18H,1-6H3,(H,21,22)/t13-,14-,15+,16+,18-/m1/s1

InChI Key

ISAPGELEXPYRBC-KCYAQADSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.626

Distribution Coefficient, logD

2.626

Water Solubility, LogSw

-3.10

Polar Surface Area

77.651

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

65.00

References: we are preparing a list of scientific research reports with D011-1728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-1728?
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What is the minimum amount of D011-1728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-1728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-1728
  • 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 D011-1728 available by request