D011-1714 Screening compound: methyl 2-({[(3aR,5S,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl]carbonyl}amino)benzoate

D011-1714 Screening compound: methyl 2-({[(3aR,5S,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl]carbonyl}amino)benzoate
D011-1714 Screening compound: methyl 2-({[(3aR,5S,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-1714
methyl 2-({[(3aR,5S,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl]carbonyl}amino)benzoate

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

D011-1714

Molecular Formula

C20H25NO8 (C20 H25 NO8)

Compound Name

methyl 2-({[(3aR,5S,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl]carbonyl}amino)benzoate

IUPAC name

methyl 2-[(1S2R6R8S9R)-441111-tetramethyl-3571012-pentaoxatricyclo[7.3.0.0^{26}]dodecane-8-amido]benzoate

SMILES

CC1(C)O[C@H]2[C@@H](C(Nc(cccc3)c3C(OC)=O)=O)O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1

InChI

InChI=1S/C20H25NO8/c1-19(2)26-12-13(27-19)15-18(29-20(3,4)28-15)25-14(12)16(22)21-11-9-7-6-8-10(11)17(23)24-5/h6-9,12-15,18H,1-5H3,(H,21,22)/t12-,13-,14+,15+,18-/m1/s1

InChI Key

CPGSEYHVBKEJHT-KAYRBKQESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.606

Distribution Coefficient, logD

2.566

Water Solubility, LogSw

-3.22

Polar Surface Area

83.651

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with D011-1714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-1714?
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What is the minimum amount of D011-1714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-1714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-1714
  • 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 D011-1714 available by request