2031-0046 Screening compound: ethyl (2Z)-5-(4-chlorophenyl)-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

2031-0046 Screening compound: ethyl (2Z)-5-(4-chlorophenyl)-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
2031-0046 Screening compound: ethyl (2Z)-5-(4-chlorophenyl)-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 2031-0046
ethyl (2Z)-5-(4-chlorophenyl)-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

2031-0046

Molecular Formula

C32H27Cl3N2O5S (C32 H27 Cl3 N2 O5 S)

Compound Name

ethyl (2Z)-5-(4-chlorophenyl)-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-(4-chlorophenyl)-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)ccc1Cl)N1C2=O)=C(C)N=C1S/C2=C\c(cc1)cc(OCC)c1OCc(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C32H27Cl3N2O5S/c1-4-40-26-14-19(6-13-25(26)42-17-21-9-12-23(34)16-24(21)35)15-27-30(38)37-29(20-7-10-22(33)11-8-20)28(31(39)41-5-2)18(3)36-32(37)43-27/h6-16,29H,4-5,17H2,1-3H3/t29-/m0/s1

InChI Key

RQJCVWLECNETMS-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD01470746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

658

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.586

Distribution Coefficient, logD

7.586

Water Solubility, LogSw

-6.57

Polar Surface Area

60.272

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.90

2031-0046 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 2031-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2031-0046?
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What is the minimum amount of 2031-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2031-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2031-0046
  • 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 2031-0046 available by request