1153-0123 Screening compound: 2,2,7,7-tetramethyl-N~5~-octyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide

1153-0123 Screening compound: 2,2,7,7-tetramethyl-N~5~-octyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide
1153-0123 Screening compound: 2,2,7,7-tetramethyl-N~5~-octyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1153-0123
2,2,7,7-tetramethyl-N~5~-octyltetrahydro-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

1153-0123

Molecular Formula

C20H35NO6 (C20 H35 NO6)

Compound Name

2,2,7,7-tetramethyl-N~5~-octyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide

IUPAC name

441111-tetramethyl-N-octyl-3571012-pentaoxatricyclo[7.3.0.0^{26}]dodecane-8-carboxamide

SMILES

CCCCCCCCNC(C1OC2OC(C)(C)OC2C2OC(C)(C)OC12)=O

InChI

InChI=1S/C20H35NO6/c1-6-7-8-9-10-11-12-21-17(22)15-13-14(25-19(2,3)24-13)16-18(23-15)27-20(4,5)26-16/h13-16,18H,6-12H2,1-5H3,(H,21,22)

InChI Key

JEVKXMSVCSDQAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.069

Distribution Coefficient, logD

4.069

Water Solubility, LogSw

-3.81

Polar Surface Area

64.610

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

95.00

1153-0123 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 1153-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1153-0123?
Check Price and Availability of 1153-0123, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1153-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1153-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1153-0123
  • 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 1153-0123 available by request