4200-0017 Screening compound: (3aR,5aS,8aS,8bR)-2,2,7,7-tetramethyl-N~5~-(2-oxo-2-{4-[(1,3-thiazol-2-ylamino)sulfonyl]anilino}ethyl)tetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide

4200-0017 Screening compound: (3aR,5aS,8aS,8bR)-2,2,7,7-tetramethyl-N~5~-(2-oxo-2-{4-[(1,3-thiazol-2-ylamino)sulfonyl]anilino}ethyl)tetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide
4200-0017 Screening compound: (3aR,5aS,8aS,8bR)-2,2,7,7-tetramethyl-N~5~-(2-oxo-2-{4-[(1,3-thiazol-2-ylamino)sulfonyl]anilino}ethyl)tetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4200-0017
(3aR,5aS,8aS,8bR)-2,2,7,7-tetramethyl-N~5~-(2-oxo-2-{4-[(1,3-thiazol-2-ylamino)sulfonyl]anilino}ethyl)tetrahydro-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

4200-0017

Molecular Formula

C23H28N4O9S2 (C23 H28 N4 O9 S2)

Compound Name

(3aR,5aS,8aS,8bR)-2,2,7,7-tetramethyl-N~5~-(2-oxo-2-{4-[(1,3-thiazol-2-ylamino)sulfonyl]anilino}ethyl)tetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-carboxamide

IUPAC name

2-{[(1S2R6R9R)-441111-tetramethyl-3571012-pentaoxatricyclo[7.3.0.0^{26}]dodecan-8-yl]formamido}-N-{4-[(13-thiazol-2-yl)sulfamoyl]phenyl}acetamide

SMILES

CC1(C)O[C@H]2C(C(NCC(Nc(cc3)ccc3S(Nc3nccs3)(=O)=O)=O)=O)O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1

InChI

InChI=1S/C23H28N4O9S2/c1-22(2)33-15-16(34-22)18-20(36-23(3,4)35-18)32-17(15)19(29)25-11-14(28)26-12-5-7-13(8-6-12)38(30,31)27-21-24-9-10-37-21/h5-10,15-18,20H,11H2,1-4H3,(H,24,27)(H,25,29)(H,26,28)/t15-,16-,17?,18+,20-/m1/s1

InChI Key

GECFLNOUXIAXFR-SQKXPUGXSA-N

MDL Number (MFCD)

MFCD02925952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.63

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.729

Distribution Coefficient, logD

1.320

Water Solubility, LogSw

-2.62

Polar Surface Area

138.774

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

52.20

References: we are preparing a list of scientific research reports with 4200-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4200-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4200-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4200-0017
  • 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 4200-0017 available by request