4602-0011 Screening compound: (3aR,5aS,8aS,8bR)-N~5~-[3-(2-methoxyanilino)-3-oxopropyl]-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide

4602-0011 Screening compound: (3aR,5aS,8aS,8bR)-N~5~-[3-(2-methoxyanilino)-3-oxopropyl]-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide
4602-0011 Screening compound: (3aR,5aS,8aS,8bR)-N~5~-[3-(2-methoxyanilino)-3-oxopropyl]-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 4602-0011
(3aR,5aS,8aS,8bR)-N~5~-[3-(2-methoxyanilino)-3-oxopropyl]-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

4602-0011

Molecular Formula

C22H30N2O8 (C22 H30 N2 O8)

Compound Name

(3aR,5aS,8aS,8bR)-N~5~-[3-(2-methoxyanilino)-3-oxopropyl]-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide

IUPAC name

N-(2-methoxyphenyl)-3-{[(1S2R6R9R)-441111-tetramethyl-3571012-pentaoxatricyclo[7.3.0.0^{26}]dodecan-8-yl]formamido}propanamide

SMILES

CC1(C)O[C@H]2C(C(NCCC(Nc(cccc3)c3OC)=O)=O)O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1

InChI

InChI=1S/C22H30N2O8/c1-21(2)29-15-16(30-21)18-20(32-22(3,4)31-18)28-17(15)19(26)23-11-10-14(25)24-12-8-6-7-9-13(12)27-5/h6-9,15-18,20H,10-11H2,1-5H3,(H,23,26)(H,24,25)/t15-,16-,17?,18+,20-/m1/s1

InChI Key

HLPHYGWNSYKHTM-SQKXPUGXSA-N

MDL Number (MFCD)

MFCD03132513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.49

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

1.485

Distribution Coefficient, logD

1.485

Water Solubility, LogSw

-1.90

Polar Surface Area

94.420

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

63.60

References: we are preparing a list of scientific research reports with 4602-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4602-0011?
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What is the minimum amount of 4602-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4602-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4602-0011
  • 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 4602-0011 available by request