K068-0041 Screening compound: N'-[2-(5'-{1,4-dioxaspiro[4.5]decan-2-yl}-tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-6'-yloxy)acetyl]-3-fluorobenzohydrazide

K068-0041 Screening compound: N'-[2-(5'-{1,4-dioxaspiro[4.5]decan-2-yl}-tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-6'-yloxy)acetyl]-3-fluorobenzohydrazide
K068-0041 Screening compound: N'-[2-(5'-{1,4-dioxaspiro[4.5]decan-2-yl}-tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-6'-yloxy)acetyl]-3-fluorobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K068-0041
N'-[2-(5'-{1,4-dioxaspiro[4.5]decan-2-yl}-tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-6'-yloxy)acetyl]-3-fluorobenzohydrazide

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

K068-0041

Molecular Formula

C27H35FN2O8 (C27 H35 FN2 O8)

Compound Name

N'-[2-(5'-{1,4-dioxaspiro[4.5]decan-2-yl}-tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-6'-yloxy)acetyl]-3-fluorobenzohydrazide

IUPAC name

N'-[2-(5'-{14-dioxaspiro[4.5]decan-2-yl}-tetrahydrospiro[cyclohexane-12'-furo[23-d][13]dioxol]-6'-yloxy)acetyl]-3-fluorobenzohydrazide

SMILES

O=C(COC1C2OC3(CCCCC3)OC2OC1C1OC2(CCCCC2)OC1)NNC(c1cccc(F)c1)=O

InChI

InChI=1S/C27H35FN2O8/c28-18-9-7-8-17(14-18)24(32)30-29-20(31)16-33-22-21(19-15-34-26(36-19)10-3-1-4-11-26)35-25-23(22)37-27(38-25)12-5-2-6-13-27/h7-9,14,19,21-23,25H,1-6,10-13,15-16H2,(H,29,31)(H,30,32)

InChI Key

UUUFZYHZZUZQKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.255

Distribution Coefficient, logD

3.207

Water Solubility, LogSw

-3.38

Polar Surface Area

95.443

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

-4.20

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

70.40

K068-0041 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K068-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K068-0041?
Check Price and Availability of K068-0041, 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 K068-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K068-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K068-0041
  • 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 K068-0041 available by request