3270-0599 Screening compound: ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

3270-0599 Screening compound: ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
3270-0599 Screening compound: ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl}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 3270-0599
ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl}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

3270-0599

Molecular Formula

C33H28Cl2N2O7S (C33 H28 Cl2 N2 O7 S)

Compound Name

ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-2-({4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-5-(2H-13-benzodioxol-5-yl)-2-({4-[(24-dichlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)cc2c1OCO2)N1C2=O)=C(C)N=C1S/C2=C\c(cc1)cc(OCC)c1OCc(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C33H28Cl2N2O7S/c1-4-40-26-12-19(6-10-24(26)42-16-21-7-9-22(34)15-23(21)35)13-28-31(38)37-30(20-8-11-25-27(14-20)44-17-43-25)29(32(39)41-5-2)18(3)36-33(37)45-28/h6-15,30H,4-5,16-17H2,1-3H3/t30-/m0/s1

InChI Key

GCFZCNACPHRMEY-PMERELPUSA-N

MDL Number (MFCD)

MFCD01242045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

667.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.952

Distribution Coefficient, logD

6.952

Water Solubility, LogSw

-6.51

Polar Surface Area

77.387

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.20

3270-0599 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3270-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3270-0599?
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What is the minimum amount of 3270-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3270-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3270-0599
  • 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 3270-0599 available by request