1153-0099 Screening compound: (2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)methyl acetate

1153-0099 Screening compound: (2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)methyl acetate
1153-0099 Screening compound: (2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1153-0099
(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)methyl acetate

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

1153-0099

Molecular Formula

C14H22O7 (C14 H22 O7)

Compound Name

(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)methyl acetate

IUPAC name

{441111-tetramethyl-3571012-pentaoxatricyclo[7.3.0.0^{26}]dodecan-8-yl}methyl acetate

SMILES

CC1(C)OC2C(COC(C)=O)OC3OC(C)(C)OC3C2O1

InChI

InChI=1S/C14H22O7/c1-7(15)16-6-8-9-10(19-13(2,3)18-9)11-12(17-8)21-14(4,5)20-11/h8-12H,6H2,1-5H3

InChI Key

PHWOTSJWWWEKMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01118866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.641

Distribution Coefficient, logD

1.641

Water Solubility, LogSw

-1.28

Polar Surface Area

61.557

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

92.86

1153-0099 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1153-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1153-0099?
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What is the minimum amount of 1153-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1153-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1153-0099
  • 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 1153-0099 available by request