K063-0036 Screening compound: N~5~-(4-chlorophenyl)-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide

K063-0036 Screening compound: N~5~-(4-chlorophenyl)-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide
K063-0036 Screening compound: N~5~-(4-chlorophenyl)-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K063-0036
N~5~-(4-chlorophenyl)-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide

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

K063-0036

Molecular Formula

C18H22ClNO6 (C18 H22 ClNO6)

Compound Name

N~5~-(4-chlorophenyl)-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide

IUPAC name

N-(4-chlorophenyl)-441111-tetramethyl-3571012-pentaoxatricyclo[7.3.0.0^{26}]dodecane-8-carboxamide

SMILES

CC1(C)OC2C(C(Nc(cc3)ccc3Cl)=O)OC3OC(C)(C)OC3C2O1

InChI

InChI=1S/C18H22ClNO6/c1-17(2)23-11-12(24-17)14-16(26-18(3,4)25-14)22-13(11)15(21)20-10-7-5-9(19)6-8-10/h5-8,11-14,16H,1-4H3,(H,20,21)

InChI Key

XINPLTKQOKCZLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.177

Distribution Coefficient, logD

3.177

Water Solubility, LogSw

-3.39

Polar Surface Area

63.175

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

61.10

References: we are preparing a list of scientific research reports with K063-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K063-0036?
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What is the minimum amount of K063-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K063-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K063-0036
  • 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 K063-0036 available by request