F634-0452 Screening compound: 1-(1-ethyl-1H-1,2,3-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide

F634-0452 Screening compound: 1-(1-ethyl-1H-1,2,3-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
F634-0452 Screening compound: 1-(1-ethyl-1H-1,2,3-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F634-0452
1-(1-ethyl-1H-1,2,3-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide

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

F634-0452

Molecular Formula

C21H22FN5O2 (C21 H22 FN5 O2)

Compound Name

1-(1-ethyl-1H-1,2,3-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide

IUPAC name

1-(1-ethyl-1H-123-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide

SMILES

CCn1nnc2c1ccc(C(N(CC1)CCC1C(Nc(cc1)ccc1F)=O)=O)c2

InChI

InChI=1S/C21H22FN5O2/c1-2-27-19-8-3-15(13-18(19)24-25-27)21(29)26-11-9-14(10-12-26)20(28)23-17-6-4-16(22)5-7-17/h3-8,13-14H,2,9-12H2,1H3,(H,23,28)

InChI Key

BYILNIGWMYICAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14961344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.677

Distribution Coefficient, logD

1.677

Water Solubility, LogSw

-2.33

Polar Surface Area

65.400

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with F634-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F634-0452?
Check Price and Availability of F634-0452, 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 F634-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F634-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F634-0452
  • 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 F634-0452 available by request