8008-6167 Screening compound: 2-(5-{[(2E)-5-(2,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid

8008-6167 Screening compound: 2-(5-{[(2E)-5-(2,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid
8008-6167 Screening compound: 2-(5-{[(2E)-5-(2,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6167
2-(5-{[(2E)-5-(2,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid

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

8008-6167

Molecular Formula

C30H26N2O8S (C30 H26 N2 O8 S)

Compound Name

2-(5-{[(2E)-5-(2,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid

IUPAC name

2-(5-{[(2E)-5-(25-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

CCOC(C(C(c(cc(cc1)OC)c1OC)N1C2=O)=C(C)N=C1S/C2=C/c1ccc(-c(cccc2)c2C(O)=O)o1)=O

InChI

InChI=1S/C30H26N2O8S/c1-5-39-29(36)25-16(2)31-30-32(26(25)21-14-17(37-3)10-12-22(21)38-4)27(33)24(41-30)15-18-11-13-23(40-18)19-8-6-7-9-20(19)28(34)35/h6-15,26H,5H2,1-4H3,(H,34,35)/t26-/m1/s1

InChI Key

XRXBZEOSLTWRSX-AREMUKBSSA-N

MDL Number (MFCD)

MFCD01305605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.239

Distribution Coefficient, logD

1.187

Water Solubility, LogSw

-4.76

Polar Surface Area

96.900

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8008-6167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6167?
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What is the minimum amount of 8008-6167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6167
  • 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 8008-6167 available by request