4059-0763 Screening compound: ethyl (2Z)-5-(3,4-diethoxyphenyl)-2-{[4-(diethylamino)-2-hydroxyphenyl]methylidene}-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4059-0763 Screening compound: ethyl (2Z)-5-(3,4-diethoxyphenyl)-2-{[4-(diethylamino)-2-hydroxyphenyl]methylidene}-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4059-0763 Screening compound: ethyl (2Z)-5-(3,4-diethoxyphenyl)-2-{[4-(diethylamino)-2-hydroxyphenyl]methylidene}-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4059-0763
ethyl (2Z)-5-(3,4-diethoxyphenyl)-2-{[4-(diethylamino)-2-hydroxyphenyl]methylidene}-7-methyl-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

4059-0763

Molecular Formula

C31H37N3O6S (C31 H37 N3 O6 S)

Compound Name

ethyl (2Z)-5-(3,4-diethoxyphenyl)-2-{[4-(diethylamino)-2-hydroxyphenyl]methylidene}-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-5-(34-diethoxyphenyl)-2-{[4-(diethylamino)-2-hydroxyphenyl]methylidene}-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCN(CC)c1cc(O)c(/C=C(/C(N2C3c(cc4)cc(OCC)c4OCC)=O)\SC2=NC(C)=C3C(OCC)=O)cc1

InChI

InChI=1S/C31H37N3O6S/c1-7-33(8-2)22-14-12-20(23(35)18-22)17-26-29(36)34-28(21-13-15-24(38-9-3)25(16-21)39-10-4)27(30(37)40-11-5)19(6)32-31(34)41-26/h12-18,28,35H,7-11H2,1-6H3/t28-/m1/s1

InChI Key

WZDFHMILTLGENP-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD04083543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.72

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.211

Distribution Coefficient, logD

5.209

Water Solubility, LogSw

-4.87

Polar Surface Area

79.452

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.70

4059-0763 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 4059-0763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4059-0763?
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What is the minimum amount of 4059-0763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4059-0763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4059-0763
  • 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 4059-0763 available by request