1153-0130 Screening compound: benzyl 6-{[(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)carbonyl]amino}hexanoate

1153-0130 Screening compound: benzyl 6-{[(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)carbonyl]amino}hexanoate
1153-0130 Screening compound: benzyl 6-{[(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)carbonyl]amino}hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1153-0130
benzyl 6-{[(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)carbonyl]amino}hexanoate

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

1153-0130

Molecular Formula

C25H35NO8 (C25 H35 NO8)

Compound Name

benzyl 6-{[(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)carbonyl]amino}hexanoate

IUPAC name

benzyl 6-({441111-tetramethyl-3571012-pentaoxatricyclo[7.3.0.0^{26}]dodecan-8-yl}formamido)hexanoate

SMILES

CC1(C)OC2C(C(NCCCCCC(OCc3ccccc3)=O)=O)OC3OC(C)(C)OC3C2O1

InChI

InChI=1S/C25H35NO8/c1-24(2)31-18-19(32-24)21-23(34-25(3,4)33-21)30-20(18)22(28)26-14-10-6-9-13-17(27)29-15-16-11-7-5-8-12-16/h5,7-8,11-12,18-21,23H,6,9-10,13-15H2,1-4H3,(H,26,28)

InChI Key

BFNAOQQNACSREC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01118882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.241

Distribution Coefficient, logD

3.241

Water Solubility, LogSw

-3.23

Polar Surface Area

84.873

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

68.00

References: we are preparing a list of scientific research reports with 1153-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1153-0130?
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What is the minimum amount of 1153-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1153-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1153-0130
  • 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 1153-0130 available by request