3368-0212 Screening compound: 1-(4-bromobenzoyl)-3-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}thiourea

3368-0212 Screening compound: 1-(4-bromobenzoyl)-3-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}thiourea
3368-0212 Screening compound: 1-(4-bromobenzoyl)-3-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3368-0212
1-(4-bromobenzoyl)-3-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-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

3368-0212

Molecular Formula

C19H18BrN3OS2 (C19 H18 BrN3 OS2)

Compound Name

1-(4-bromobenzoyl)-3-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}thiourea

IUPAC name

1-(4-bromobenzoyl)-3-{3-cyano-4H5H6H7H8H9H-cycloocta[b]thiophen-2-yl}thiourea

SMILES

N#Cc1c(NC(NC(c(cc2)ccc2Br)=O)=S)sc2c1CCCCCC2

InChI

InChI=1S/C19H18BrN3OS2/c20-13-9-7-12(8-10-13)17(24)22-19(25)23-18-15(11-21)14-5-3-1-2-4-6-16(14)26-18/h7-10H,1-6H2,(H2,22,23,24,25)

InChI Key

YYSLMVJUEUZWBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01994136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.950

Distribution Coefficient, logD

5.106

Water Solubility, LogSw

-5.85

Polar Surface Area

50.342

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

3368-0212 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3368-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3368-0212?
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What is the minimum amount of 3368-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3368-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3368-0212
  • 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 3368-0212 available by request