8009-4717 Screening compound: (2E)-4-oxo-2-[(2E)-2-[1-(thiophen-2-yl)ethylidene]hydrazin-1-ylidene]-1,3-thiazinane-6-carboxylic acid

8009-4717 Screening compound: (2E)-4-oxo-2-[(2E)-2-[1-(thiophen-2-yl)ethylidene]hydrazin-1-ylidene]-1,3-thiazinane-6-carboxylic acid
8009-4717 Screening compound: (2E)-4-oxo-2-[(2E)-2-[1-(thiophen-2-yl)ethylidene]hydrazin-1-ylidene]-1,3-thiazinane-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4717
(2E)-4-oxo-2-[(2E)-2-[1-(thiophen-2-yl)ethylidene]hydrazin-1-ylidene]-1,3-thiazinane-6-carboxylic acid

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

8009-4717

Molecular Formula

C11H11N3O3S2 (C11 H11 N3 O3 S2)

Compound Name

(2E)-4-oxo-2-[(2E)-2-[1-(thiophen-2-yl)ethylidene]hydrazin-1-ylidene]-1,3-thiazinane-6-carboxylic acid

IUPAC name

(2E)-4-oxo-2-[(2E)-2-[1-(thiophen-2-yl)ethylidene]hydrazin-1-ylidene]-13-thiazinane-6-carboxylic acid

SMILES

C/C(/c1cccs1)=N\N=C(/NC(C1)=O)\SC1C(O)=O

InChI

InChI=1S/C11H11N3O3S2/c1-6(7-3-2-4-18-7)13-14-11-12-9(15)5-8(19-11)10(16)17/h2-4,8H,5H2,1H3,(H,16,17)(H,12,14,15)/t8-/m0/s1

InChI Key

KTCLSQQHLVLHNU-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD01821507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.429

Distribution Coefficient, logD

-1.005

Water Solubility, LogSw

-2.23

Polar Surface Area

72.982

Acid Dissociation Constant (pKa)

4.97

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

8009-4717 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8009-4717 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8009-4717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4717
  • 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 8009-4717 available by request