4514-2084 Screening compound: (2E)-4-oxo-2-[(2E)-2-[1-(thiophen-2-yl)ethylidene]hydrazin-1-ylidene]-1,3-thiazinane-6-carboxamide

4514-2084 Screening compound: (2E)-4-oxo-2-[(2E)-2-[1-(thiophen-2-yl)ethylidene]hydrazin-1-ylidene]-1,3-thiazinane-6-carboxamide
4514-2084 Screening compound: (2E)-4-oxo-2-[(2E)-2-[1-(thiophen-2-yl)ethylidene]hydrazin-1-ylidene]-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-2084
(2E)-4-oxo-2-[(2E)-2-[1-(thiophen-2-yl)ethylidene]hydrazin-1-ylidene]-1,3-thiazinane-6-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

4514-2084

Molecular Formula

C11H12N4O2S2 (C11 H12 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C11H12N4O2S2/c1-6(7-3-2-4-18-7)14-15-11-13-9(16)5-8(19-11)10(12)17/h2-4,8H,5H2,1H3,(H2,12,17)(H,13,15,16)/t8-/m0/s1

InChI Key

HGKQVIXQQPSAMY-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD03057072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.152

Distribution Coefficient, logD

1.142

Water Solubility, LogSw

-2.17

Polar Surface Area

78.633

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 4514-2084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-2084?
Check Price and Availability of 4514-2084, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4514-2084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-2084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-2084
  • 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 4514-2084 available by request