3977-1306 Screening compound: 4-{[(2Z)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5-[4-(prop-2-en-1-yloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}benzoic acid

3977-1306 Screening compound: 4-{[(2Z)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5-[4-(prop-2-en-1-yloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}benzoic acid
3977-1306 Screening compound: 4-{[(2Z)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5-[4-(prop-2-en-1-yloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3977-1306
4-{[(2Z)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5-[4-(prop-2-en-1-yloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}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

3977-1306

Molecular Formula

C27H24N2O6S (C27 H24 N2 O6 S)

Compound Name

4-{[(2Z)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5-[4-(prop-2-en-1-yloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}benzoic acid

IUPAC name

4-{[(2Z)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5-[4-(prop-2-en-1-yloxy)phenyl]-2H3H5H-[13]thiazolo[32-a]pyrimidin-2-ylidene]methyl}benzoic acid

SMILES

CCOC(C(C(c(cc1)ccc1OCC=C)N1C2=O)=C(C)N=C1S/C2=C\c(cc1)ccc1C(O)=O)=O

InChI

InChI=1S/C27H24N2O6S/c1-4-14-35-20-12-10-18(11-13-20)23-22(26(33)34-5-2)16(3)28-27-29(23)24(30)21(36-27)15-17-6-8-19(9-7-17)25(31)32/h4,6-13,15,23H,1,5,14H2,2-3H3,(H,31,32)/t23-/m1/s1

InChI Key

REQSUAYVXAWCLC-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03079957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.864

Distribution Coefficient, logD

1.257

Water Solubility, LogSw

-4.33

Polar Surface Area

81.573

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 3977-1306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3977-1306?
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What is the minimum amount of 3977-1306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3977-1306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3977-1306
  • 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 3977-1306 available by request