3343-3658 Screening compound: {[(4Z)-6,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-ylidene]amino}thiourea

3343-3658 Screening compound: {[(4Z)-6,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-ylidene]amino}thiourea
3343-3658 Screening compound: {[(4Z)-6,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-ylidene]amino}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3343-3658
{[(4Z)-6,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-ylidene]amino}thiourea

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

3343-3658

Molecular Formula

C11H15N3OS (C11 H15 N3 OS)

Compound Name

{[(4Z)-6,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-ylidene]amino}thiourea

IUPAC name

{[(4Z)-66-dimethyl-4567-tetrahydro-1-benzofuran-4-ylidene]amino}thiourea

SMILES

CC(C)(Cc1c2cco1)C/C2=N/NC(N)=S

InChI

InChI=1S/C11H15N3OS/c1-11(2)5-8(13-14-10(12)16)7-3-4-15-9(7)6-11/h3-4H,5-6H2,1-2H3,(H3,12,14,16)

InChI Key

KPQFUEPHIACHQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03011703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.182

Distribution Coefficient, logD

2.182

Water Solubility, LogSw

-2.87

Polar Surface Area

49.749

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

5.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 3343-3658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3343-3658?
Check Price and Availability of 3343-3658, 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 3343-3658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3343-3658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3343-3658
  • 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 3343-3658 available by request