Y041-7813 Screening compound: 1-[(2E)-3-phenylprop-2-en-1-yl]-4-{[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carbonyl}piperazine

Y041-7813 Screening compound: 1-[(2E)-3-phenylprop-2-en-1-yl]-4-{[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carbonyl}piperazine
Y041-7813 Screening compound: 1-[(2E)-3-phenylprop-2-en-1-yl]-4-{[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-7813
1-[(2E)-3-phenylprop-2-en-1-yl]-4-{[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carbonyl}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

Y041-7813

Molecular Formula

C19H20N6O (C19 H20 N6 O)

Compound Name

1-[(2E)-3-phenylprop-2-en-1-yl]-4-{[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carbonyl}piperazine

IUPAC name

1-[(2E)-3-phenylprop-2-en-1-yl]-4-{[1234]tetrazolo[15-a]pyridine-6-carbonyl}piperazine

SMILES

O=C(c1cn2nnnc2cc1)N1CCN(C/C=C/c2ccccc2)CC1

InChI

InChI=1S/C19H20N6O/c26-19(17-8-9-18-20-21-22-25(18)15-17)24-13-11-23(12-14-24)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2

InChI Key

CUROHAYBVYQUKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28058204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.519

Distribution Coefficient, logD

1.517

Water Solubility, LogSw

-1.58

Polar Surface Area

56.859

Acid Dissociation Constant (pKa)

28.05

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

Y041-7813 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-7813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-7813?
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What is the minimum amount of Y041-7813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-7813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-7813
  • 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 Y041-7813 available by request