G370-0077 Screening compound: N-(4-{[(2-chlorophenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide

G370-0077 Screening compound: N-(4-{[(2-chlorophenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
G370-0077 Screening compound: N-(4-{[(2-chlorophenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G370-0077
N-(4-{[(2-chlorophenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-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

G370-0077

Molecular Formula

C19H17ClN2O3S (C19 H17 ClN2 O3 S)

Compound Name

N-(4-{[(2-chlorophenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide

IUPAC name

N-(4-{[(2-chlorophenyl)methyl]carbamoyl}phenyl)-56-dihydro-14-oxathiine-2-carboxamide

SMILES

O=C(c(cc1)ccc1NC(C1=CSCCO1)=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C19H17ClN2O3S/c20-16-4-2-1-3-14(16)11-21-18(23)13-5-7-15(8-6-13)22-19(24)17-12-26-10-9-25-17/h1-8,12H,9-11H2,(H,21,23)(H,22,24)

InChI Key

DOTVTRWWLVXPKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15004647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.147

Distribution Coefficient, logD

2.983

Water Solubility, LogSw

-3.52

Polar Surface Area

57.372

Acid Dissociation Constant (pKa)

7.74

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

G370-0077 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G370-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G370-0077?
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What is the minimum amount of G370-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G370-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G370-0077
  • 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 G370-0077 available by request