Y031-5853 Screening compound: N-{2-[(propan-2-yl)carbamoyl]phenyl}-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

Y031-5853 Screening compound: N-{2-[(propan-2-yl)carbamoyl]phenyl}-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
Y031-5853 Screening compound: N-{2-[(propan-2-yl)carbamoyl]phenyl}-1-(thiophene-2-carbonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5853
N-{2-[(propan-2-yl)carbamoyl]phenyl}-1-(thiophene-2-carbonyl)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

Y031-5853

Molecular Formula

C21H25N3O3S (C21 H25 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(c(cccc1)c1NC(C(CC1)CCN1C(c1cccs1)=O)=O)=O

InChI

InChI=1S/C21H25N3O3S/c1-14(2)22-20(26)16-6-3-4-7-17(16)23-19(25)15-9-11-24(12-10-15)21(27)18-8-5-13-28-18/h3-8,13-15H,9-12H2,1-2H3,(H,22,26)(H,23,25)

InChI Key

ROKSUAXGOVUIMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09458176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.51

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

2.542

Distribution Coefficient, logD

2.539

Water Solubility, LogSw

-3.06

Polar Surface Area

63.958

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with Y031-5853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5853?
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What is the minimum amount of Y031-5853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5853
  • 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 Y031-5853 available by request