1933-0030 Screening compound: ethyl (2Z)-2-[(4-bromophenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

1933-0030 Screening compound: ethyl (2Z)-2-[(4-bromophenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
1933-0030 Screening compound: ethyl (2Z)-2-[(4-bromophenyl)methylidene]-5-(4-methoxyphenyl)-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 1933-0030
ethyl (2Z)-2-[(4-bromophenyl)methylidene]-5-(4-methoxyphenyl)-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

1933-0030

Molecular Formula

C24H21BrN2O4S (C24 H21 BrN2 O4 S)

Compound Name

ethyl (2Z)-2-[(4-bromophenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-2-[(4-bromophenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1OC)N1C2=O)=C(C)N=C1S/C2=C\c(cc1)ccc1Br)=O

InChI

InChI=1S/C24H21BrN2O4S/c1-4-31-23(29)20-14(2)26-24-27(21(20)16-7-11-18(30-3)12-8-16)22(28)19(32-24)13-15-5-9-17(25)10-6-15/h5-13,21H,4H2,1-3H3/t21-/m0/s1

InChI Key

OBOMQHBXQPCFBE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01455306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.298

Distribution Coefficient, logD

5.298

Water Solubility, LogSw

-5.29

Polar Surface Area

53.291

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

1933-0030 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1933-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1933-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1933-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1933-0030
  • 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 1933-0030 available by request