G370-0806 Screening compound: ethyl 4-[2-(5,6-dihydro-1,4-oxathiine-2-amido)benzamido]benzoate

G370-0806 Screening compound: ethyl 4-[2-(5,6-dihydro-1,4-oxathiine-2-amido)benzamido]benzoate
G370-0806 Screening compound: ethyl 4-[2-(5,6-dihydro-1,4-oxathiine-2-amido)benzamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G370-0806
ethyl 4-[2-(5,6-dihydro-1,4-oxathiine-2-amido)benzamido]benzoate

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

G370-0806

Molecular Formula

C21H20N2O5S (C21 H20 N2 O5 S)

Compound Name

ethyl 4-[2-(5,6-dihydro-1,4-oxathiine-2-amido)benzamido]benzoate

IUPAC name

ethyl 4-[2-(56-dihydro-14-oxathiine-2-amido)benzamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(cccc1)c1NC(C1=CSCCO1)=O)=O)=O

InChI

InChI=1S/C21H20N2O5S/c1-2-27-21(26)14-7-9-15(10-8-14)22-19(24)16-5-3-4-6-17(16)23-20(25)18-13-29-12-11-28-18/h3-10,13H,2,11-12H2,1H3,(H,22,24)(H,23,25)

InChI Key

JJIKHXIQYGDEEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15004868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.228

Distribution Coefficient, logD

3.201

Water Solubility, LogSw

-3.65

Polar Surface Area

76.105

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G370-0806 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G370-0806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G370-0806?
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What is the minimum amount of G370-0806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G370-0806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G370-0806
  • 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 G370-0806 available by request