8009-0638 Screening compound: 5-(5-{[(2E)-5-(2-bromo-4,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid

8009-0638 Screening compound: 5-(5-{[(2E)-5-(2-bromo-4,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid
8009-0638 Screening compound: 5-(5-{[(2E)-5-(2-bromo-4,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0638
5-(5-{[(2E)-5-(2-bromo-4,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)-2-chlorobenzoic 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

8009-0638

Molecular Formula

C30H24BrClN2O8S (C30 H24 BrClN2 O8 S)

Compound Name

5-(5-{[(2E)-5-(2-bromo-4,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid

IUPAC name

5-(5-{[(2E)-5-(2-bromo-45-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidin-2-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid

SMILES

CCOC(C(C(c(cc(c(OC)c1)OC)c1Br)N1C2=O)=C(C)N=C1S/C2=C/c1ccc(-c(cc2)cc(C(O)=O)c2Cl)o1)=O

InChI

InChI=1S/C30H24BrClN2O8S/c1-5-41-29(38)25-14(2)33-30-34(26(25)17-12-22(39-3)23(40-4)13-19(17)31)27(35)24(43-30)11-16-7-9-21(42-16)15-6-8-20(32)18(10-15)28(36)37/h6-13,26H,5H2,1-4H3,(H,36,37)/t26-/m0/s1

InChI Key

YEAQUKITQCWKKQ-SANMLTNESA-N

MDL Number (MFCD)

MFCD01460977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

687.95

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

6.078

Distribution Coefficient, logD

1.648

Water Solubility, LogSw

-5.69

Polar Surface Area

96.986

Acid Dissociation Constant (pKa)

2.97

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8009-0638 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8009-0638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0638?
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What is the minimum amount of 8009-0638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0638
  • 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 8009-0638 available by request