8014-0433 Screening compound: N~1~-(2-cyclohexenyl)-N~2~-(4-ethoxyphenyl)-1,2-hydrazinedicarbothioamide

8014-0433 Screening compound: N~1~-(2-cyclohexenyl)-N~2~-(4-ethoxyphenyl)-1,2-hydrazinedicarbothioamide
8014-0433 Screening compound: N~1~-(2-cyclohexenyl)-N~2~-(4-ethoxyphenyl)-1,2-hydrazinedicarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-0433
N~1~-(2-cyclohexenyl)-N~2~-(4-ethoxyphenyl)-1,2-hydrazinedicarbothioamide

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

8014-0433

Molecular Formula

C16H22N4OS2 (C16 H22 N4 OS2)

Compound Name

N~1~-(2-cyclohexenyl)-N~2~-(4-ethoxyphenyl)-1,2-hydrazinedicarbothioamide

IUPAC name

3-{[(cyclohex-2-en-1-yl)carbamothioyl]amino}-1-(4-ethoxyphenyl)thiourea

SMILES

CCOc(cc1)ccc1NC(NNC(NC1C=CCCC1)=S)=S

InChI

InChI=1S/C16H22N4OS2/c1-2-21-14-10-8-13(9-11-14)18-16(23)20-19-15(22)17-12-6-4-3-5-7-12/h4,6,8-12H,2-3,5,7H2,1H3,(H2,17,19,22)(H2,18,20,23)/t12-/m1/s1

InChI Key

IPZDLSZXZLZHOT-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD03198118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.363

Distribution Coefficient, logD

3.361

Water Solubility, LogSw

-3.53

Polar Surface Area

51.068

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

8014-0433 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8014-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-0433?
Check Price and Availability of 8014-0433, 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 8014-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-0433
  • 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 8014-0433 available by request