3033-1381 Screening compound: 5-{[6,7-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-methoxyphenyl acetate

3033-1381 Screening compound: 5-{[6,7-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-methoxyphenyl acetate
3033-1381 Screening compound: 5-{[6,7-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3033-1381
5-{[6,7-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-methoxyphenyl acetate

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

3033-1381

Molecular Formula

C21H18N2O4S (C21 H18 N2 O4 S)

Compound Name

5-{[6,7-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-methoxyphenyl acetate

IUPAC name

5-{[(4Z)-1011-dimethyl-3-oxo-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-4-ylidene]methyl}-2-methoxyphenyl acetate

SMILES

CC(Oc(cc(/C=C1\Sc2nc(cc(C)c(C)c3)c3n2C1=O)cc1)c1OC)=O

InChI

InChI=1S/C21H18N2O4S/c1-11-7-15-16(8-12(11)2)23-20(25)19(28-21(23)22-15)10-14-5-6-17(26-4)18(9-14)27-13(3)24/h5-10H,1-4H3

InChI Key

GYGNFPUNMUQDBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01785853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

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

4.335

Distribution Coefficient, logD

4.335

Water Solubility, LogSw

-4.62

Polar Surface Area

52.921

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

3033-1381 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 3033-1381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3033-1381?
Check Price and Availability of 3033-1381, 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 3033-1381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3033-1381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3033-1381
  • 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 3033-1381 available by request