Y040-5989 Screening compound: 1-[2-bromo-5-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-4-(4-chlorophenyl)piperidin-4-ol

Y040-5989 Screening compound: 1-[2-bromo-5-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-4-(4-chlorophenyl)piperidin-4-ol
Y040-5989 Screening compound: 1-[2-bromo-5-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-4-(4-chlorophenyl)piperidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5989
1-[2-bromo-5-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-4-(4-chlorophenyl)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

Y040-5989

Molecular Formula

C19H17BrClN5O2 (C19 H17 BrClN5 O2)

Compound Name

1-[2-bromo-5-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-4-(4-chlorophenyl)piperidin-4-ol

IUPAC name

1-[2-bromo-5-(1H-1234-tetrazol-1-yl)benzoyl]-4-(4-chlorophenyl)piperidin-4-ol

SMILES

OC(CC1)(CCN1C(c(cc(cc1)-n2nnnc2)c1Br)=O)c(cc1)ccc1Cl

InChI

InChI=1S/C19H17BrClN5O2/c20-17-6-5-15(26-12-22-23-24-26)11-16(17)18(27)25-9-7-19(28,8-10-25)13-1-3-14(21)4-2-13/h1-6,11-12,28H,7-10H2

InChI Key

QZABJOCYTLZHLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12214466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.746

Distribution Coefficient, logD

2.746

Water Solubility, LogSw

-3.50

Polar Surface Area

71.486

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with Y040-5989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5989?
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What is the minimum amount of Y040-5989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5989
  • 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 Y040-5989 available by request