1153-0194 Screening compound: 5'-{1,4-dioxaspiro[4.5]decan-2-yl}-tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-6'-yl (2E)-3-phenylprop-2-enoate

1153-0194 Screening compound: 5'-{1,4-dioxaspiro[4.5]decan-2-yl}-tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-6'-yl (2E)-3-phenylprop-2-enoate
1153-0194 Screening compound: 5'-{1,4-dioxaspiro[4.5]decan-2-yl}-tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-6'-yl (2E)-3-phenylprop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1153-0194
5'-{1,4-dioxaspiro[4.5]decan-2-yl}-tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-6'-yl (2E)-3-phenylprop-2-enoate

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

1153-0194

Molecular Formula

C27H34O7 (C27 H34 O7)

Compound Name

5'-{1,4-dioxaspiro[4.5]decan-2-yl}-tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-6'-yl (2E)-3-phenylprop-2-enoate

IUPAC name

5'-{14-dioxaspiro[4.5]decan-2-yl}-tetrahydrospiro[cyclohexane-12'-furo[23-d][13]dioxol]-6'-yl (2E)-3-phenylprop-2-enoate

SMILES

O=C(/C=C/c1ccccc1)OC1C2OC3(CCCCC3)OC2OC1C1OC2(CCCCC2)OC1

InChI

InChI=1S/C27H34O7/c28-21(13-12-19-10-4-1-5-11-19)30-23-22(20-18-29-26(32-20)14-6-2-7-15-26)31-25-24(23)33-27(34-25)16-8-3-9-17-27/h1,4-5,10-13,20,22-25H,2-3,6-9,14-18H2

InChI Key

YMNWZTLIICAIHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01118933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.361

Distribution Coefficient, logD

5.361

Water Solubility, LogSw

-5.60

Polar Surface Area

56.743

Acid Dissociation Constant (pKa)

26.47

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

66.70

1153-0194 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1153-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1153-0194?
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What is the minimum amount of 1153-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1153-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1153-0194
  • 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 1153-0194 available by request