8017-0485 Screening compound: 1-{2-[(4-hydroxy-6-methyl-2-pyrimidinyl)sulfanyl]acetyl}-4-piperidinecarboxamide

8017-0485 Screening compound: 1-{2-[(4-hydroxy-6-methyl-2-pyrimidinyl)sulfanyl]acetyl}-4-piperidinecarboxamide
8017-0485 Screening compound: 1-{2-[(4-hydroxy-6-methyl-2-pyrimidinyl)sulfanyl]acetyl}-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0485
1-{2-[(4-hydroxy-6-methyl-2-pyrimidinyl)sulfanyl]acetyl}-4-piperidinecarboxamide

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

8017-0485

Molecular Formula

C13H18N4O3S (C13 H18 N4 O3 S)

Compound Name

1-{2-[(4-hydroxy-6-methyl-2-pyrimidinyl)sulfanyl]acetyl}-4-piperidinecarboxamide

IUPAC name

1-{2-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetyl}piperidine-4-carboxamide

SMILES

Cc1nc(SCC(N(CC2)CCC2C(N)=O)=O)nc(O)c1

InChI

InChI=1S/C13H18N4O3S/c1-8-6-10(18)16-13(15-8)21-7-11(19)17-4-2-9(3-5-17)12(14)20/h6,9H,2-5,7H2,1H3,(H2,14,20)(H,15,16,18)

InChI Key

FTOLLINVRSCDQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03615598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.271

Distribution Coefficient, logD

-0.428

Water Solubility, LogSw

-0.95

Polar Surface Area

84.777

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.85

8017-0485 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8017-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0485?
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What is the minimum amount of 8017-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0485
  • 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 8017-0485 available by request