2028-0070 Screening compound: ethyl (2Z)-2-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2028-0070 Screening compound: ethyl (2Z)-2-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2028-0070 Screening compound: ethyl (2Z)-2-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2028-0070
ethyl (2Z)-2-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

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

2028-0070

Molecular Formula

C27H20ClN3O6S (C27 H20 ClN3 O6 S)

Compound Name

ethyl (2Z)-2-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-2-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c1ccccc1)N1C2=O)=C(C)N=C1S/C2=C\c1ccc(-c(cc(cc2)[N+]([O-])=O)c2Cl)o1)=O

InChI

InChI=1S/C27H20ClN3O6S/c1-3-36-26(33)23-15(2)29-27-30(24(23)16-7-5-4-6-8-16)25(32)22(38-27)14-18-10-12-21(37-18)19-13-17(31(34)35)9-11-20(19)28/h4-14,24H,3H2,1-2H3/t24-/m0/s1

InChI Key

QSGGABJXLKYZRW-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01061676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.99

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.149

Distribution Coefficient, logD

6.149

Water Solubility, LogSw

-6.09

Polar Surface Area

86.699

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

2028-0070 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2028-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2028-0070?
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What is the minimum amount of 2028-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2028-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2028-0070
  • 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 2028-0070 available by request