D473-1129 Screening compound: N~1~-[4-(aminosulfonyl)phenethyl]-4-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

D473-1129 Screening compound: N~1~-[4-(aminosulfonyl)phenethyl]-4-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide
D473-1129 Screening compound: N~1~-[4-(aminosulfonyl)phenethyl]-4-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1129
N~1~-[4-(aminosulfonyl)phenethyl]-4-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

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

D473-1129

Molecular Formula

C20H23N3O6S2 (C20 H23 N3 O6 S2)

Compound Name

N~1~-[4-(aminosulfonyl)phenethyl]-4-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

IUPAC name

4-(44-dimethyl-113-trioxo-1lambda62-thiazolidin-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

SMILES

CC(C)(CS(N1c(cc2)ccc2C(NCCc(cc2)ccc2S(N)(=O)=O)=O)(=O)=O)C1=O

InChI

InChI=1S/C20H23N3O6S2/c1-20(2)13-30(26,27)23(19(20)25)16-7-5-15(6-8-16)18(24)22-12-11-14-3-9-17(10-4-14)31(21,28)29/h3-10H,11-13H2,1-2H3,(H,22,24)(H2,21,28,29)

InChI Key

MPOGOEFFOKCTKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10089576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.574

Distribution Coefficient, logD

0.573

Water Solubility, LogSw

-2.18

Polar Surface Area

120.236

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D473-1129 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D473-1129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1129?
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What is the minimum amount of D473-1129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1129
  • 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 D473-1129 available by request