3665-2127 Screening compound: 2-methoxy-4-{[8-methyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenyl propionate

3665-2127 Screening compound: 2-methoxy-4-{[8-methyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenyl propionate
3665-2127 Screening compound: 2-methoxy-4-{[8-methyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenyl propionate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3665-2127
2-methoxy-4-{[8-methyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenyl propionate

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

3665-2127

Molecular Formula

C21H18N2O4S (C21 H18 N2 O4 S)

Compound Name

2-methoxy-4-{[8-methyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}phenyl propionate

IUPAC name

2-methoxy-4-{[(4Z)-9-methyl-3-oxo-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-4-ylidene]methyl}phenyl propanoate

SMILES

CCC(Oc(ccc(/C=C1\Sc2nc(c(C)ccc3)c3n2C1=O)c1)c1OC)=O

InChI

InChI=1S/C21H18N2O4S/c1-4-18(24)27-15-9-8-13(10-16(15)26-3)11-17-20(25)23-14-7-5-6-12(2)19(14)22-21(23)28-17/h5-11H,4H2,1-3H3

InChI Key

AZTAORCBVLZJTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06615283

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

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.970

Distribution Coefficient, logD

3.970

Water Solubility, LogSw

-4.17

Polar Surface Area

52.995

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 3665-2127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3665-2127?
Check Price and Availability of 3665-2127, 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 3665-2127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3665-2127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3665-2127
  • 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 3665-2127 available by request