8010-2102 Screening compound: ethyl (2Z)-2-({5-[3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-7-methyl-5-(4-methylphenyl)-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

8010-2102 Screening compound: ethyl (2Z)-2-({5-[3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-7-methyl-5-(4-methylphenyl)-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
8010-2102 Screening compound: ethyl (2Z)-2-({5-[3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-7-methyl-5-(4-methylphenyl)-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2102
ethyl (2Z)-2-({5-[3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-7-methyl-5-(4-methylphenyl)-3-oxo-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

8010-2102

Molecular Formula

C31H28N2O6S (C31 H28 N2 O6 S)

Compound Name

ethyl (2Z)-2-({5-[3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-7-methyl-5-(4-methylphenyl)-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-2-({5-[3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-7-methyl-5-(4-methylphenyl)-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c1ccc(C)cc1)N1C2=O)=C(C)N=C1S/C2=C\c1ccc(-c2cc(C(OCC)=O)ccc2)o1)=O

InChI

InChI=1S/C31H28N2O6S/c1-5-37-29(35)22-9-7-8-21(16-22)24-15-14-23(39-24)17-25-28(34)33-27(20-12-10-18(3)11-13-20)26(30(36)38-6-2)19(4)32-31(33)40-25/h7-17,27H,5-6H2,1-4H3/t27-/m1/s1

InChI Key

PZBALGMUXYMVGN-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD01140807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.666

Distribution Coefficient, logD

6.666

Water Solubility, LogSw

-5.67

Polar Surface Area

74.071

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.60

References: we are preparing a list of scientific research reports with 8010-2102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2102?
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What is the minimum amount of 8010-2102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2102
  • 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 8010-2102 available by request