3725-0061 Screening compound: N~1~-[4-(aminosulfonyl)phenyl]-2-[(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)methoxy]acetamide

3725-0061 Screening compound: N~1~-[4-(aminosulfonyl)phenyl]-2-[(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)methoxy]acetamide
3725-0061 Screening compound: N~1~-[4-(aminosulfonyl)phenyl]-2-[(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)methoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3725-0061
N~1~-[4-(aminosulfonyl)phenyl]-2-[(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)methoxy]acetamide

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

3725-0061

Molecular Formula

C20H28N2O9S (C20 H28 N2 O9 S)

Compound Name

N~1~-[4-(aminosulfonyl)phenyl]-2-[(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)methoxy]acetamide

IUPAC name

N-(4-sulfamoylphenyl)-2-({441111-tetramethyl-3571012-pentaoxatricyclo[7.3.0.0^{26}]dodecan-8-yl}methoxy)acetamide

SMILES

CC1(C)OC2C(COCC(Nc(cc3)ccc3S(N)(=O)=O)=O)OC3OC(C)(C)OC3C2O1

InChI

InChI=1S/C20H28N2O9S/c1-19(2)28-15-13(27-18-17(16(15)29-19)30-20(3,4)31-18)9-26-10-14(23)22-11-5-7-12(8-6-11)32(21,24)25/h5-8,13,15-18H,9-10H2,1-4H3,(H,22,23)(H2,21,24,25)

InChI Key

ULNYTOXMXIRIJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.52

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.974

Distribution Coefficient, logD

0.973

Water Solubility, LogSw

-1.92

Polar Surface Area

122.241

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

65.00

3725-0061 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3725-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3725-0061?
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What is the minimum amount of 3725-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3725-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3725-0061
  • 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 3725-0061 available by request