Y070-0102 Screening compound: N,N'-bis({[(prop-2-en-1-yl)carbamothioyl]amino})hexanediamide

Y070-0102 Screening compound: N,N'-bis({[(prop-2-en-1-yl)carbamothioyl]amino})hexanediamide
Y070-0102 Screening compound: N,N'-bis({[(prop-2-en-1-yl)carbamothioyl]amino})hexanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0102
N,N'-bis({[(prop-2-en-1-yl)carbamothioyl]amino})hexanediamide

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

Y070-0102

Molecular Formula

C14H24N6O2S2 (C14 H24 N6 O2 S2)

Compound Name

N,N'-bis({[(prop-2-en-1-yl)carbamothioyl]amino})hexanediamide

IUPAC name

NN'-bis({[(prop-2-en-1-yl)carbamothioyl]amino})hexanediamide

SMILES

C=CCNC(NNC(CCCCC(NNC(NCC=C)=S)=O)=O)=S

InChI

InChI=1S/C14H24N6O2S2/c1-3-9-15-13(23)19-17-11(21)7-5-6-8-12(22)18-20-14(24)16-10-4-2/h3-4H,1-2,5-10H2,(H,17,21)(H,18,22)(H2,15,19,23)(H2,16,20,24)

InChI Key

MACWKPIZGNHWJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00547972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.900

Distribution Coefficient, logD

-1.570

Water Solubility, LogSw

-1.08

Polar Surface Area

96.809

Acid Dissociation Constant (pKa)

6.83

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

Y070-0102 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 Y070-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0102?
Check Price and Availability of Y070-0102, 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 Y070-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0102
  • 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 Y070-0102 available by request