4489-4528 Screening compound: 4-(5-{[(2Z)-6-(ethoxycarbonyl)-5-(2-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid

4489-4528 Screening compound: 4-(5-{[(2Z)-6-(ethoxycarbonyl)-5-(2-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid
4489-4528 Screening compound: 4-(5-{[(2Z)-6-(ethoxycarbonyl)-5-(2-methoxyphenyl)-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 4489-4528
4-(5-{[(2Z)-6-(ethoxycarbonyl)-5-(2-methoxyphenyl)-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

4489-4528

Molecular Formula

C29H24N2O7S (C29 H24 N2 O7 S)

Compound Name

4-(5-{[(2Z)-6-(ethoxycarbonyl)-5-(2-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid

IUPAC name

4-(5-{[(2Z)-6-(ethoxycarbonyl)-5-(2-methoxyphenyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

CCOC(C(C(c(cccc1)c1OC)N1C2=O)=C(C)N=C1S/C2=C\c1ccc(-c(cc2)ccc2C(O)=O)o1)=O

InChI

InChI=1S/C29H24N2O7S/c1-4-37-28(35)24-16(2)30-29-31(25(24)20-7-5-6-8-22(20)36-3)26(32)23(39-29)15-19-13-14-21(38-19)17-9-11-18(12-10-17)27(33)34/h5-15,25H,4H2,1-3H3,(H,33,34)/t25-/m1/s1

InChI Key

HGTIQWVEUSAMIN-RUZDIDTESA-N

MDL Number (MFCD)

MFCD02312734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.775

Distribution Coefficient, logD

2.047

Water Solubility, LogSw

-5.50

Polar Surface Area

89.356

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

References: we are preparing a list of scientific research reports with 4489-4528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-4528?
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What is the minimum amount of 4489-4528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-4528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-4528
  • 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 4489-4528 available by request