Y031-5789 Screening compound: 1-(4-fluorobenzoyl)-N-{2-[(propan-2-yl)carbamoyl]phenyl}piperidine-4-carboxamide

Y031-5789 Screening compound: 1-(4-fluorobenzoyl)-N-{2-[(propan-2-yl)carbamoyl]phenyl}piperidine-4-carboxamide
Y031-5789 Screening compound: 1-(4-fluorobenzoyl)-N-{2-[(propan-2-yl)carbamoyl]phenyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5789
1-(4-fluorobenzoyl)-N-{2-[(propan-2-yl)carbamoyl]phenyl}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

Y031-5789

Molecular Formula

C23H26FN3O3 (C23 H26 FN3 O3)

Compound Name

1-(4-fluorobenzoyl)-N-{2-[(propan-2-yl)carbamoyl]phenyl}piperidine-4-carboxamide

IUPAC name

1-(4-fluorobenzoyl)-N-{2-[(propan-2-yl)carbamoyl]phenyl}piperidine-4-carboxamide

SMILES

CC(C)NC(c(cccc1)c1NC(C(CC1)CCN1C(c(cc1)ccc1F)=O)=O)=O

InChI

InChI=1S/C23H26FN3O3/c1-15(2)25-22(29)19-5-3-4-6-20(19)26-21(28)16-11-13-27(14-12-16)23(30)17-7-9-18(24)10-8-17/h3-10,15-16H,11-14H2,1-2H3,(H,25,29)(H,26,28)

InChI Key

JPRPSDZLAXMQEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09457957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.434

Distribution Coefficient, logD

2.432

Water Solubility, LogSw

-3.05

Polar Surface Area

62.939

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

Y031-5789 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y031-5789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5789?
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What is the minimum amount of Y031-5789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5789
  • 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 Y031-5789 available by request