4200-0002 Screening compound: (3aR,5aS,8aS,8bR)-N~5~-(2-anilino-2-oxoethyl)-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide

4200-0002 Screening compound: (3aR,5aS,8aS,8bR)-N~5~-(2-anilino-2-oxoethyl)-2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide
4200-0002 Screening compound: (3aR,5aS,8aS,8bR)-N~5~-(2-anilino-2-oxoethyl)-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 4200-0002
(3aR,5aS,8aS,8bR)-N~5~-(2-anilino-2-oxoethyl)-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

4200-0002

Molecular Formula

C20H26N2O7 (C20 H26 N2 O7)

Compound Name

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

IUPAC name

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

SMILES

CC1(C)O[C@H]2C(C(NCC(Nc3ccccc3)=O)=O)O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1

InChI

InChI=1S/C20H26N2O7/c1-19(2)26-13-14(27-19)16-18(29-20(3,4)28-16)25-15(13)17(24)21-10-12(23)22-11-8-6-5-7-9-11/h5-9,13-16,18H,10H2,1-4H3,(H,21,24)(H,22,23)/t13-,14-,15?,16+,18-/m1/s1

InChI Key

VLMQBLQREDZTPU-SUCXHAGDSA-N

MDL Number (MFCD)

MFCD02925768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.848

Distribution Coefficient, logD

1.848

Water Solubility, LogSw

-2.11

Polar Surface Area

87.646

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with 4200-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4200-0002?
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What is the minimum amount of 4200-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4200-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4200-0002
  • 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 4200-0002 available by request