4228-0486 Screening compound: methyl 2-(3-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-1H-indol-1-yl)acetate

4228-0486 Screening compound: methyl 2-(3-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-1H-indol-1-yl)acetate
4228-0486 Screening compound: methyl 2-(3-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-1H-indol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4228-0486
methyl 2-(3-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-1H-indol-1-yl)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

4228-0486

Molecular Formula

C21H15N3O3S (C21 H15 N3 O3 S)

Compound Name

methyl 2-(3-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-1H-indol-1-yl)acetate

IUPAC name

methyl 2-(3-{[(4E)-3-oxo-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)6810-tetraen-4-ylidene]methyl}-1H-indol-1-yl)acetate

SMILES

COC(Cn1c(cccc2)c2c(/C=C2/Sc3nc(cccc4)c4n3C2=O)c1)=O

InChI

InChI=1S/C21H15N3O3S/c1-27-19(25)12-23-11-13(14-6-2-4-8-16(14)23)10-18-20(26)24-17-9-5-3-7-15(17)22-21(24)28-18/h2-11H,12H2,1H3

InChI Key

VGOBXPWDYJWPKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02628060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.273

Distribution Coefficient, logD

3.273

Water Solubility, LogSw

-3.32

Polar Surface Area

47.035

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 4228-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4228-0486?
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What is the minimum amount of 4228-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4228-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4228-0486
  • 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 4228-0486 available by request