3473-0955 Screening compound: ethyl 5-ethyl-5-methyl-2-{[(2-methylprop-2-en-1-yl)carbamothioyl]amino}-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate

3473-0955 Screening compound: ethyl 5-ethyl-5-methyl-2-{[(2-methylprop-2-en-1-yl)carbamothioyl]amino}-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate
3473-0955 Screening compound: ethyl 5-ethyl-5-methyl-2-{[(2-methylprop-2-en-1-yl)carbamothioyl]amino}-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3473-0955
ethyl 5-ethyl-5-methyl-2-{[(2-methylprop-2-en-1-yl)carbamothioyl]amino}-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate

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

3473-0955

Molecular Formula

C18H26N2O3S2 (C18 H26 N2 O3 S2)

Compound Name

ethyl 5-ethyl-5-methyl-2-{[(2-methylprop-2-en-1-yl)carbamothioyl]amino}-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate

IUPAC name

ethyl 5-ethyl-5-methyl-2-{[(2-methylprop-2-en-1-yl)carbamothioyl]amino}-4H5H7H-thieno[23-c]pyran-3-carboxylate

SMILES

CCC(C)(C1)OCc2c1c(C(OCC)=O)c(NC(NCC(C)=C)=S)s2

InChI

InChI=1S/C18H26N2O3S2/c1-6-18(5)8-12-13(10-23-18)25-15(14(12)16(21)22-7-2)20-17(24)19-9-11(3)4/h3,6-10H2,1-2,4-5H3,(H2,19,20,24)/t18-/m0/s1

InChI Key

OVAHYNXVYRYJSP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01557095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.455

Distribution Coefficient, logD

4.107

Water Solubility, LogSw

-4.42

Polar Surface Area

49.015

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-4.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

References: we are preparing a list of scientific research reports with 3473-0955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3473-0955?
Check Price and Availability of 3473-0955, 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 3473-0955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3473-0955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3473-0955
  • 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 3473-0955 available by request