C451-0237 Screening compound: 2-bromo-4-{[(2Z)-3,7-dioxo-6-[(4-propoxyphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl}-6-methoxyphenyl acetate

C451-0237 Screening compound: 2-bromo-4-{[(2Z)-3,7-dioxo-6-[(4-propoxyphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl}-6-methoxyphenyl acetate
C451-0237 Screening compound: 2-bromo-4-{[(2Z)-3,7-dioxo-6-[(4-propoxyphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl}-6-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C451-0237
2-bromo-4-{[(2Z)-3,7-dioxo-6-[(4-propoxyphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl}-6-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

C451-0237

Molecular Formula

C25H22BrN3O6S (C25 H22 BrN3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc1ccc(CC2=NN(C(/C(/S3)=C/c(cc4OC)cc(Br)c4OC(C)=O)=O)C3=NC2=O)cc1

InChI

InChI=1S/C25H22BrN3O6S/c1-4-9-34-17-7-5-15(6-8-17)11-19-23(31)27-25-29(28-19)24(32)21(36-25)13-16-10-18(26)22(35-14(2)30)20(12-16)33-3/h5-8,10,12-13H,4,9,11H2,1-3H3

InChI Key

RHHZPEIFWWNGMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06290968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.218

Distribution Coefficient, logD

4.218

Water Solubility, LogSw

-4.45

Polar Surface Area

86.524

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with C451-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C451-0237?
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What is the minimum amount of C451-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C451-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C451-0237
  • 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 C451-0237 available by request