G795-0593 Screening compound: N-(2-{[(1,4-dioxan-2-yl)methyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide

G795-0593 Screening compound: N-(2-{[(1,4-dioxan-2-yl)methyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide
G795-0593 Screening compound: N-(2-{[(1,4-dioxan-2-yl)methyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G795-0593
N-(2-{[(1,4-dioxan-2-yl)methyl]carbamoyl}phenyl)-1,2-benzothiazole-3-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

G795-0593

Molecular Formula

C20H19N3O4S (C20 H19 N3 O4 S)

Compound Name

N-(2-{[(1,4-dioxan-2-yl)methyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide

IUPAC name

N-(2-{[(14-dioxan-2-yl)methyl]carbamoyl}phenyl)-12-benzothiazole-3-carboxamide

SMILES

O=C(c1nsc2c1cccc2)Nc(cccc1)c1C(NCC1OCCOC1)=O

InChI

InChI=1S/C20H19N3O4S/c24-19(21-11-13-12-26-9-10-27-13)14-5-1-3-7-16(14)22-20(25)18-15-6-2-4-8-17(15)28-23-18/h1-8,13H,9-12H2,(H,21,24)(H,22,25)/t13-/m0/s1

InChI Key

RMLVVNLXKKAQED-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27159804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.284

Distribution Coefficient, logD

2.284

Water Solubility, LogSw

-3.09

Polar Surface Area

74.730

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G795-0593 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G795-0593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G795-0593?
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What is the minimum amount of G795-0593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G795-0593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G795-0593
  • 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 G795-0593 available by request