8016-2038 Screening compound: 2-{(1S,2S,5R)-2-[2-(aminocarbothioyl)hydrazino]-6,8-dioxabicyclo[3.2.1]oct-4-yliden}-1-hydrazinecarbothioamide

8016-2038 Screening compound: 2-{(1S,2S,5R)-2-[2-(aminocarbothioyl)hydrazino]-6,8-dioxabicyclo[3.2.1]oct-4-yliden}-1-hydrazinecarbothioamide
8016-2038 Screening compound: 2-{(1S,2S,5R)-2-[2-(aminocarbothioyl)hydrazino]-6,8-dioxabicyclo[3.2.1]oct-4-yliden}-1-hydrazinecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2038
2-{(1S,2S,5R)-2-[2-(aminocarbothioyl)hydrazino]-6,8-dioxabicyclo[3.2.1]oct-4-yliden}-1-hydrazinecarbothioamide

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

8016-2038

Molecular Formula

C8H14N6O2S2 (C8 H14 N6 O2 S2)

Compound Name

2-{(1S,2S,5R)-2-[2-(aminocarbothioyl)hydrazino]-6,8-dioxabicyclo[3.2.1]oct-4-yliden}-1-hydrazinecarbothioamide

IUPAC name

{[(1S2S4Z5R)-2-[(carbamothioylamino)amino]-68-dioxabicyclo[3.2.1]octan-4-ylidene]amino}thiourea

SMILES

NC(NN[C@@H](C/C1=N/NC(N)=S)[C@@H]2O[C@H]1OC2)=S

InChI

InChI=1S/C8H14N6O2S2/c9-7(17)13-11-3-1-4(12-14-8(10)18)6-15-2-5(3)16-6/h3,5-6,11H,1-2H2,(H3,9,13,17)(H3,10,14,18)/t3-,5-,6-/m1/s1

InChI Key

IYIRZLBTPVSYQA-UYFOZJQFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

7.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-1.138

Distribution Coefficient, logD

-1.678

Water Solubility, LogSw

-1.26

Polar Surface Area

103.906

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

62.50

8016-2038 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 8016-2038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2038?
Check Price and Availability of 8016-2038, 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 8016-2038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2038
  • 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 8016-2038 available by request