Y010-0117 Screening compound: 4-[(1-TERT-BUTYL-1H-1,2,3,4-TETRAZOL-5-YL)(4-FLUOROPHENYL)METHYL]MORPHOLINE

Y010-0117 Screening compound: 4-[(1-TERT-BUTYL-1H-1,2,3,4-TETRAZOL-5-YL)(4-FLUOROPHENYL)METHYL]MORPHOLINE
Y010-0117 Screening compound: 4-[(1-TERT-BUTYL-1H-1,2,3,4-TETRAZOL-5-YL)(4-FLUOROPHENYL)METHYL]MORPHOLINE alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0117
4-[(1-TERT-BUTYL-1H-1,2,3,4-TETRAZOL-5-YL)(4-FLUOROPHENYL)METHYL]MORPHOLINE

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

Y010-0117

Molecular Formula

C16H22FN5O (C16 H22 FN5 O)

Compound Name

4-[(1-TERT-BUTYL-1H-1,2,3,4-TETRAZOL-5-YL)(4-FLUOROPHENYL)METHYL]MORPHOLINE

IUPAC name

n/a

SMILES

CC(C)(C)n1nnnc1C(c(cc1)ccc1F)N1CCOCC1

InChI

InChI=1S/C16H22FN5O/c1-16(2,3)22-15(18-19-20-22)14(21-8-10-23-11-9-21)12-4-6-13(17)7-5-12/h4-7,14H,8-11H2,1-3H3/t14-/m1/s1

InChI Key

LWSSOCOEJDEUAG-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01239274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.125

Distribution Coefficient, logD

2.125

Water Solubility, LogSw

-2.31

Polar Surface Area

51.207

Acid Dissociation Constant (pKa)

23.57

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

Y010-0117 in Drug Discovery

Included in Screening Libraries

Human Ion Channels Annotated Library (353 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y010-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0117?
Check Price and Availability of Y010-0117, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y010-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0117
  • 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 Y010-0117 available by request