Y041-9713 Screening compound: 1',3',5'-trimethyl-5-{4-[2-(pyridin-2-yl)ethyl]piperazine-1-carbonyl}-1'H,2H-3,4'-bipyrazole

Y041-9713 Screening compound: 1',3',5'-trimethyl-5-{4-[2-(pyridin-2-yl)ethyl]piperazine-1-carbonyl}-1'H,2H-3,4'-bipyrazole
Y041-9713 Screening compound: 1',3',5'-trimethyl-5-{4-[2-(pyridin-2-yl)ethyl]piperazine-1-carbonyl}-1'H,2H-3,4'-bipyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-9713
1',3',5'-trimethyl-5-{4-[2-(pyridin-2-yl)ethyl]piperazine-1-carbonyl}-1'H,2H-3,4'-bipyrazole

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

Y041-9713

Molecular Formula

C21H27N7O (C21 H27 N7 O)

Compound Name

1',3',5'-trimethyl-5-{4-[2-(pyridin-2-yl)ethyl]piperazine-1-carbonyl}-1'H,2H-3,4'-bipyrazole

IUPAC name

1'3'5'-trimethyl-5-{4-[2-(pyridin-2-yl)ethyl]piperazine-1-carbonyl}-1'H2H-34'-bipyrazole

SMILES

Cc(n(C)nc1C)c1-c1cc(C(N2CCN(CCc3ncccc3)CC2)=O)n[nH]1

InChI

InChI=1S/C21H27N7O/c1-15-20(16(2)26(3)25-15)18-14-19(24-23-18)21(29)28-12-10-27(11-13-28)9-7-17-6-4-5-8-22-17/h4-6,8,14H,7,9-13H2,1-3H3,(H,23,24)

InChI Key

CFJHKYVXPPERDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27962396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.657

Distribution Coefficient, logD

0.636

Water Solubility, LogSw

-1.87

Polar Surface Area

67.278

Acid Dissociation Constant (pKa)

6.93

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

Y041-9713 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with Y041-9713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-9713?
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What is the minimum amount of Y041-9713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-9713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-9713
  • 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 Y041-9713 available by request