2260-4050 Screening compound: ethyl 4-methyl-2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-1,3-thiazole-5-carboxylate

2260-4050 Screening compound: ethyl 4-methyl-2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-1,3-thiazole-5-carboxylate
2260-4050 Screening compound: ethyl 4-methyl-2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2260-4050
ethyl 4-methyl-2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-1,3-thiazole-5-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

2260-4050

Molecular Formula

C16H15N3O5S (C16 H15 N3 O5 S)

Compound Name

ethyl 4-methyl-2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 4-methyl-2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(NC(/C=C/c2cc([N+]([O-])=O)ccc2)=O)s1)=O

InChI

InChI=1S/C16H15N3O5S/c1-3-24-15(21)14-10(2)17-16(25-14)18-13(20)8-7-11-5-4-6-12(9-11)19(22)23/h4-9H,3H2,1-2H3,(H,17,18,20)

InChI Key

HXVXVEALBAGTHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01345491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.912

Distribution Coefficient, logD

3.856

Water Solubility, LogSw

-4.00

Polar Surface Area

87.875

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

2260-4050 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2260-4050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2260-4050?
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What is the minimum amount of 2260-4050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2260-4050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2260-4050
  • 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 2260-4050 available by request