1153-0141 Screening compound: N'~5~-[4-(2,4-dichlorophenoxy)butanoyl]-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carbohydrazide

1153-0141 Screening compound: N'~5~-[4-(2,4-dichlorophenoxy)butanoyl]-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carbohydrazide
1153-0141 Screening compound: N'~5~-[4-(2,4-dichlorophenoxy)butanoyl]-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1153-0141
N'~5~-[4-(2,4-dichlorophenoxy)butanoyl]-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-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

1153-0141

Molecular Formula

C22H28Cl2N2O8 (C22 H28 Cl2 N2 O8)

Compound Name

N'~5~-[4-(2,4-dichlorophenoxy)butanoyl]-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carbohydrazide

IUPAC name

4-(24-dichlorophenoxy)-N'-{441111-tetramethyl-3571012-pentaoxatricyclo[7.3.0.0^{26}]dodecane-8-carbonyl}butanehydrazide

SMILES

CC1(C)OC2C(C(NNC(CCCOc(ccc(Cl)c3)c3Cl)=O)=O)OC3OC(C)(C)OC3C2O1

InChI

InChI=1S/C22H28Cl2N2O8/c1-21(2)31-15-16(32-21)18-20(34-22(3,4)33-18)30-17(15)19(28)26-25-14(27)6-5-9-29-13-8-7-11(23)10-12(13)24/h7-8,10,15-18,20H,5-6,9H2,1-4H3,(H,25,27)(H,26,28)

InChI Key

RGNOEWUAAKJJTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01118890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.792

Distribution Coefficient, logD

2.791

Water Solubility, LogSw

-3.29

Polar Surface Area

98.571

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

63.60

1153-0141 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1153-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1153-0141?
Check Price and Availability of 1153-0141, 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 1153-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1153-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1153-0141
  • 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 1153-0141 available by request