6228-1352 Screening compound: methyl 2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4,5-dimethylthiophene-3-carboxylate

6228-1352 Screening compound: methyl 2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4,5-dimethylthiophene-3-carboxylate
6228-1352 Screening compound: methyl 2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4,5-dimethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1352
methyl 2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4,5-dimethylthiophene-3-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

6228-1352

Molecular Formula

C21H22BrN3O3S (C21 H22 BrN3 O3 S)

Compound Name

methyl 2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-4,5-dimethylthiophene-3-carboxylate

IUPAC name

methyl 2-{3-[(4-bromo-35-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-45-dimethylthiophene-3-carboxylate

SMILES

Cc1c(C)sc(NC(c2cccc(Cn3nc(C)c(Br)c3C)c2)=O)c1C(OC)=O

InChI

InChI=1S/C21H22BrN3O3S/c1-11-14(4)29-20(17(11)21(27)28-5)23-19(26)16-8-6-7-15(9-16)10-25-13(3)18(22)12(2)24-25/h6-9H,10H2,1-5H3,(H,23,26)

InChI Key

NXRLVHJMBRGSES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01920173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.947

Distribution Coefficient, logD

-0.267

Water Solubility, LogSw

-4.36

Polar Surface Area

58.580

Acid Dissociation Constant (pKa)

3.19

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

6228-1352 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6228-1352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1352?
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What is the minimum amount of 6228-1352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1352
  • 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 6228-1352 available by request