3642-0018 Screening compound: 1-(2,2-dimethyl-6-{[4-(pentyloxy)phenyl]methoxy}-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol

3642-0018 Screening compound: 1-(2,2-dimethyl-6-{[4-(pentyloxy)phenyl]methoxy}-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol
3642-0018 Screening compound: 1-(2,2-dimethyl-6-{[4-(pentyloxy)phenyl]methoxy}-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3642-0018
1-(2,2-dimethyl-6-{[4-(pentyloxy)phenyl]methoxy}-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol

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

3642-0018

Molecular Formula

C21H32O7 (C21 H32 O7)

Compound Name

1-(2,2-dimethyl-6-{[4-(pentyloxy)phenyl]methoxy}-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol

IUPAC name

1-[(3aR5R6S6aR)-22-dimethyl-6-{[4-(pentyloxy)phenyl]methoxy}-tetrahydro-2H-furo[23-d][13]dioxol-5-yl]ethane-12-diol

SMILES

CCCCCOc1ccc(CO[C@H]2[C@@H]3OC(C)(C)O[C@@H]3O[C@H]2C(CO)O)cc1

InChI

InChI=1S/C21H32O7/c1-4-5-6-11-24-15-9-7-14(8-10-15)13-25-18-17(16(23)12-22)26-20-19(18)27-21(2,3)28-20/h7-10,16-20,22-23H,4-6,11-13H2,1-3H3/t16?,17-,18+,19-,20+/m1/s1

InChI Key

KCCMKEJSKZURTI-NOSIKRSBSA-N

MDL Number (MFCD)

MFCD02129611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

3.339

Water Solubility, LogSw

-2.83

Polar Surface Area

72.017

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

71.40

References: we are preparing a list of scientific research reports with 3642-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3642-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3642-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3642-0018
  • 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 3642-0018 available by request