K068-0003 Screening compound: N'-[(4-tert-butylphenyl)sulfonyl]tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carbohydrazide

K068-0003 Screening compound: N'-[(4-tert-butylphenyl)sulfonyl]tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carbohydrazide
K068-0003 Screening compound: N'-[(4-tert-butylphenyl)sulfonyl]tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K068-0003
N'-[(4-tert-butylphenyl)sulfonyl]tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carbohydrazide

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

K068-0003

Molecular Formula

C28H40N2O8S (C28 H40 N2 O8 S)

Compound Name

N'-[(4-tert-butylphenyl)sulfonyl]tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carbohydrazide

IUPAC name

N'-(4-tert-butylbenzenesulfonyl)dispiro[cyclohexane-14'-[3571012]pentaoxatricyclo[7.3.0.0^{26}]dodecane-11'1''-cyclohexane]-8'-carbohydrazide

SMILES

CC(C)(C)c(cc1)ccc1S(NNC(C1OC2OC3(CCCCC3)OC2C2OC3(CCCCC3)OC12)=O)(=O)=O

InChI

InChI=1S/C28H40N2O8S/c1-26(2,3)18-10-12-19(13-11-18)39(32,33)30-29-24(31)22-20-21(36-27(35-20)14-6-4-7-15-27)23-25(34-22)38-28(37-23)16-8-5-9-17-28/h10-13,20-23,25,30H,4-9,14-17H2,1-3H3,(H,29,31)

InChI Key

XYEJYCGNJALPOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.7

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.529

Distribution Coefficient, logD

4.529

Water Solubility, LogSw

-4.20

Polar Surface Area

104.324

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-4.63

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

75.00

References: we are preparing a list of scientific research reports with K068-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K068-0003?
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What is the minimum amount of K068-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K068-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K068-0003
  • 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 K068-0003 available by request