4281-1271 Screening compound: ethyl (2E)-2-[(5-bromothiophen-2-yl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4281-1271 Screening compound: ethyl (2E)-2-[(5-bromothiophen-2-yl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4281-1271 Screening compound: ethyl (2E)-2-[(5-bromothiophen-2-yl)methylidene]-5-(3,4-dimethoxyphenyl)-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 4281-1271
ethyl (2E)-2-[(5-bromothiophen-2-yl)methylidene]-5-(3,4-dimethoxyphenyl)-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

4281-1271

Molecular Formula

C23H21BrN2O5S2 (C23 H21 BrN2 O5 S2)

Compound Name

ethyl (2E)-2-[(5-bromothiophen-2-yl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2E)-2-[(5-bromothiophen-2-yl)methylidene]-5-(34-dimethoxyphenyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)cc(OC)c1OC)N1C2=O)=C(C)N=C1S/C2=C/c(s1)ccc1Br)=O

InChI

InChI=1S/C23H21BrN2O5S2/c1-5-31-22(28)19-12(2)25-23-26(20(19)13-6-8-15(29-3)16(10-13)30-4)21(27)17(33-23)11-14-7-9-18(24)32-14/h6-11,20H,5H2,1-4H3/t20-/m0/s1

InChI Key

RVBOZFAVEAGAAL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02609023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.792

Distribution Coefficient, logD

4.792

Water Solubility, LogSw

-4.68

Polar Surface Area

62.027

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 4281-1271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4281-1271?
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What is the minimum amount of 4281-1271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4281-1271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4281-1271
  • 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 4281-1271 available by request