4764-1950 Screening compound: 2-[(Z)-1-(5-bromo-2,3-dimethoxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

4764-1950 Screening compound: 2-[(Z)-1-(5-bromo-2,3-dimethoxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one
4764-1950 Screening compound: 2-[(Z)-1-(5-bromo-2,3-dimethoxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4764-1950
2-[(Z)-1-(5-bromo-2,3-dimethoxyphenyl)methylidene][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

4764-1950

Molecular Formula

C18H13BrN2O3S (C18 H13 BrN2 O3 S)

Compound Name

2-[(Z)-1-(5-bromo-2,3-dimethoxyphenyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

IUPAC name

(4Z)-4-[(5-bromo-23-dimethoxyphenyl)methylidene]-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)6810-tetraen-3-one

SMILES

COc(cc(cc1/C=C2\Sc3nc(cccc4)c4n3C2=O)Br)c1OC

InChI

InChI=1S/C18H13BrN2O3S/c1-23-14-9-11(19)7-10(16(14)24-2)8-15-17(22)21-13-6-4-3-5-12(13)20-18(21)25-15/h3-9H,1-2H3

InChI Key

JQTAWHWFKSVJJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03065659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.447

Distribution Coefficient, logD

4.447

Water Solubility, LogSw

-4.49

Polar Surface Area

39.800

Acid Dissociation Constant (pKa)

32.90

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4764-1950 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 4764-1950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4764-1950?
Check Price and Availability of 4764-1950, 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 4764-1950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4764-1950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4764-1950
  • 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 4764-1950 available by request