3615-0064 Screening compound: 2-{(Z)-1-[3-bromo-5-methoxy-4-(2-propynyloxy)phenyl]methylidene}-6,8-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

3615-0064 Screening compound: 2-{(Z)-1-[3-bromo-5-methoxy-4-(2-propynyloxy)phenyl]methylidene}-6,8-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one
3615-0064 Screening compound: 2-{(Z)-1-[3-bromo-5-methoxy-4-(2-propynyloxy)phenyl]methylidene}-6,8-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3615-0064
2-{(Z)-1-[3-bromo-5-methoxy-4-(2-propynyloxy)phenyl]methylidene}-6,8-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

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

3615-0064

Molecular Formula

C22H17BrN2O3S (C22 H17 BrN2 O3 S)

Compound Name

2-{(Z)-1-[3-bromo-5-methoxy-4-(2-propynyloxy)phenyl]methylidene}-6,8-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

IUPAC name

(4Z)-4-{[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-911-dimethyl-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)6810-tetraen-3-one

SMILES

Cc(cc1C)cc(n2C3=O)c1nc2S/C3=C\c(cc1OC)cc(Br)c1OCC#C

InChI

InChI=1S/C22H17BrN2O3S/c1-5-6-28-20-15(23)9-14(10-17(20)27-4)11-18-21(26)25-16-8-12(2)7-13(3)19(16)24-22(25)29-18/h1,7-11H,6H2,2-4H3

InChI Key

QOYKKJZWAJBJOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02327238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.217

Distribution Coefficient, logD

5.217

Water Solubility, LogSw

-5.00

Polar Surface Area

40.445

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3615-0064 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

?ysteine Targeted Covalent Library (39471 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 3615-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3615-0064?
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What is the minimum amount of 3615-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3615-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3615-0064
  • 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 3615-0064 available by request