Y041-3129 Screening compound: 1-[5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carbonyl]-4-[2-(pyridin-4-yl)ethyl]piperazine

Y041-3129 Screening compound: 1-[5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carbonyl]-4-[2-(pyridin-4-yl)ethyl]piperazine
Y041-3129 Screening compound: 1-[5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carbonyl]-4-[2-(pyridin-4-yl)ethyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3129
1-[5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carbonyl]-4-[2-(pyridin-4-yl)ethyl]piperazine

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

Y041-3129

Molecular Formula

C19H20BrN5OS (C19 H20 BrN5 OS)

Compound Name

1-[5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carbonyl]-4-[2-(pyridin-4-yl)ethyl]piperazine

IUPAC name

1-[5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carbonyl]-4-[2-(pyridin-4-yl)ethyl]piperazine

SMILES

O=C(c1n[nH]c(-c(s2)ccc2Br)c1)N1CCN(CCc2ccncc2)CC1

InChI

InChI=1S/C19H20BrN5OS/c20-18-2-1-17(27-18)15-13-16(23-22-15)19(26)25-11-9-24(10-12-25)8-5-14-3-6-21-7-4-14/h1-4,6-7,13H,5,8-12H2,(H,22,23)

InChI Key

HYUMIYXUGXRENH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27962399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.830

Distribution Coefficient, logD

2.799

Water Solubility, LogSw

-3.14

Polar Surface Area

53.342

Acid Dissociation Constant (pKa)

6.11

Base Dissociation Constant (pKb)

6.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

Y041-3129 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 Y041-3129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3129?
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What is the minimum amount of Y041-3129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3129
  • 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 Y041-3129 available by request