D011-1779 Screening compound: 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)acetic acid

D011-1779 Screening compound: 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)acetic acid
D011-1779 Screening compound: 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)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-1779
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)acetic acid

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

D011-1779

Molecular Formula

C14H21NO8 (C14 H21 NO8)

Compound Name

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)acetic acid

IUPAC name

2-{[(1S2R6R8S9R)-441111-tetramethyl-3571012-pentaoxatricyclo[7.3.0.0^{26}]dodecan-8-yl]formamido}acetic acid

SMILES

CC1(C)O[C@H]2[C@@H](C(NCC(O)=O)=O)O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1

InChI

InChI=1S/C14H21NO8/c1-13(2)20-7-8(21-13)10-12(23-14(3,4)22-10)19-9(7)11(18)15-5-6(16)17/h7-10,12H,5H2,1-4H3,(H,15,18)(H,16,17)/t7-,8-,9+,10+,12-/m1/s1

InChI Key

GGSFFXKXAVNAID-ZXUATJPGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.495

Distribution Coefficient, logD

-4.382

Water Solubility, LogSw

-0.81

Polar Surface Area

93.152

Acid Dissociation Constant (pKa)

3.51

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

85.70

References: we are preparing a list of scientific research reports with D011-1779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-1779?
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What is the minimum amount of D011-1779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-1779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-1779
  • 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 D011-1779 available by request