4333-3484 Screening compound: 1-benzoyl-3-{3-cyano-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl}thiourea

4333-3484 Screening compound: 1-benzoyl-3-{3-cyano-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl}thiourea
4333-3484 Screening compound: 1-benzoyl-3-{3-cyano-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4333-3484
1-benzoyl-3-{3-cyano-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl}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

4333-3484

Molecular Formula

C18H17N3O2S2 (C18 H17 N3 O2 S2)

Compound Name

1-benzoyl-3-{3-cyano-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl}thiourea

IUPAC name

1-benzoyl-3-{3-cyano-55-dimethyl-4H5H7H-thieno[23-c]pyran-2-yl}thiourea

SMILES

CC(C)(C1)OCc2c1c(C#N)c(NC(NC(c1ccccc1)=O)=S)s2

InChI

InChI=1S/C18H17N3O2S2/c1-18(2)8-12-13(9-19)16(25-14(12)10-23-18)21-17(24)20-15(22)11-6-4-3-5-7-11/h3-7H,8,10H2,1-2H3,(H2,20,21,22,24)

InChI Key

NGBDDKGHTCIPAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00682284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.863

Distribution Coefficient, logD

3.001

Water Solubility, LogSw

-4.35

Polar Surface Area

57.708

Acid Dissociation Constant (pKa)

6.60

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

4333-3484 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4333-3484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4333-3484?
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What is the minimum amount of 4333-3484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4333-3484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4333-3484
  • 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 4333-3484 available by request