3358-3518 Screening compound: methyl 4-(5-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoate

3358-3518 Screening compound: methyl 4-(5-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoate
3358-3518 Screening compound: methyl 4-(5-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3358-3518
methyl 4-(5-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoate

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

3358-3518

Molecular Formula

C22H14N2O4S (C22 H14 N2 O4 S)

Compound Name

methyl 4-(5-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-furyl)benzoate

IUPAC name

methyl 4-(5-{[(4Z)-3-oxo-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)6810-tetraen-4-ylidene]methyl}furan-2-yl)benzoate

SMILES

COC(c(cc1)ccc1-c1ccc(/C=C2\Sc3nc(cccc4)c4n3C2=O)o1)=O

InChI

InChI=1S/C22H14N2O4S/c1-27-21(26)14-8-6-13(7-9-14)18-11-10-15(28-18)12-19-20(25)24-17-5-3-2-4-16(17)23-22(24)29-19/h2-12H,1H3

InChI Key

RKHACVKUVNTSMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.977

Distribution Coefficient, logD

4.977

Water Solubility, LogSw

-4.83

Polar Surface Area

53.196

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

3358-3518 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3358-3518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3358-3518?
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What is the minimum amount of 3358-3518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3358-3518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3358-3518
  • 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 3358-3518 available by request