6764-0255 Screening compound: 4-{[(2Z)-6-[(4-chlorophenyl)methyl]-3,7-dioxo-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl}-2-methoxyphenyl acetate

6764-0255 Screening compound: 4-{[(2Z)-6-[(4-chlorophenyl)methyl]-3,7-dioxo-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl}-2-methoxyphenyl acetate
6764-0255 Screening compound: 4-{[(2Z)-6-[(4-chlorophenyl)methyl]-3,7-dioxo-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl}-2-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6764-0255
4-{[(2Z)-6-[(4-chlorophenyl)methyl]-3,7-dioxo-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]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

6764-0255

Molecular Formula

C22H16ClN3O5S (C22 H16 ClN3 O5 S)

Compound Name

4-{[(2Z)-6-[(4-chlorophenyl)methyl]-3,7-dioxo-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl}-2-methoxyphenyl acetate

IUPAC name

4-{[(2Z)-6-[(4-chlorophenyl)methyl]-37-dioxo-2H3H7H-[13]thiazolo[32-b][124]triazin-2-ylidene]methyl}-2-methoxyphenyl acetate

SMILES

CC(Oc(ccc(/C=C(/C(N1N=C2Cc(cc3)ccc3Cl)=O)\SC1=NC2=O)c1)c1OC)=O

InChI

InChI=1S/C22H16ClN3O5S/c1-12(27)31-17-8-5-14(10-18(17)30-2)11-19-21(29)26-22(32-19)24-20(28)16(25-26)9-13-3-6-15(23)7-4-13/h3-8,10-11H,9H2,1-2H3

InChI Key

ZJVXCXDRLYMLCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07496924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.9

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.219

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.96

Polar Surface Area

79.020

Acid Dissociation Constant (pKa)

20.99

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 6764-0255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6764-0255?
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What is the minimum amount of 6764-0255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6764-0255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6764-0255
  • 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 6764-0255 available by request