Y043-3391 Screening compound: 4-(4-chlorophenyl)-1-{1',3',5'-trimethyl-1'H,2H-[3,4'-bipyrazole]-5-carbonyl}piperidin-4-ol

Y043-3391 Screening compound: 4-(4-chlorophenyl)-1-{1',3',5'-trimethyl-1'H,2H-[3,4'-bipyrazole]-5-carbonyl}piperidin-4-ol
Y043-3391 Screening compound: 4-(4-chlorophenyl)-1-{1',3',5'-trimethyl-1'H,2H-[3,4'-bipyrazole]-5-carbonyl}piperidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-3391
4-(4-chlorophenyl)-1-{1',3',5'-trimethyl-1'H,2H-[3,4'-bipyrazole]-5-carbonyl}piperidin-4-ol

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

Y043-3391

Molecular Formula

C21H24ClN5O2 (C21 H24 ClN5 O2)

Compound Name

4-(4-chlorophenyl)-1-{1',3',5'-trimethyl-1'H,2H-[3,4'-bipyrazole]-5-carbonyl}piperidin-4-ol

IUPAC name

4-(4-chlorophenyl)-1-{1'3'5'-trimethyl-1'H2H-[34'-bipyrazole]-5-carbonyl}piperidin-4-ol

SMILES

Cc(n(C)nc1C)c1-c1cc(C(N(CC2)CCC2(c(cc2)ccc2Cl)O)=O)n[nH]1

InChI

InChI=1S/C21H24ClN5O2/c1-13-19(14(2)26(3)25-13)17-12-18(24-23-17)20(28)27-10-8-21(29,9-11-27)15-4-6-16(22)7-5-15/h4-7,12,29H,8-11H2,1-3H3,(H,23,24)

InChI Key

HCGJLSKCFMEKSE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.883

Distribution Coefficient, logD

1.883

Water Solubility, LogSw

-3.04

Polar Surface Area

69.050

Acid Dissociation Constant (pKa)

6.93

Base Dissociation Constant (pKb)

2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with Y043-3391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-3391?
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What is the minimum amount of Y043-3391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-3391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-3391
  • 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 Y043-3391 available by request