C561-2818 Screening compound: N-(sec-butyl)-3-(1,3,5,7-tetramethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-6-yl)propanamide

C561-2818 Screening compound: N-(sec-butyl)-3-(1,3,5,7-tetramethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-6-yl)propanamide
C561-2818 Screening compound: N-(sec-butyl)-3-(1,3,5,7-tetramethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-6-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2818
N-(sec-butyl)-3-(1,3,5,7-tetramethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-6-yl)propanamide

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

C561-2818

Molecular Formula

C18H26N4O3 (C18 H26 N4 O3)

Compound Name

N-(sec-butyl)-3-(1,3,5,7-tetramethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-6-yl)propanamide

IUPAC name

N-(butan-2-yl)-3-{1357-tetramethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-6-yl}propanamide

SMILES

CCC(C)NC(CCc1c(C)c(C(N(C)C(N2C)=O)=O)c2nc1C)=O

InChI

InChI=1S/C18H26N4O3/c1-7-10(2)19-14(23)9-8-13-11(3)15-16(20-12(13)4)21(5)18(25)22(6)17(15)24/h10H,7-9H2,1-6H3,(H,19,23)/t10-/m0/s1

InChI Key

RJMOWGOUZLAGCK-JTQLQIEISA-N

MDL Number (MFCD)

MFCD14771729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.271

Distribution Coefficient, logD

2.270

Water Solubility, LogSw

-2.20

Polar Surface Area

65.730

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

C561-2818 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C561-2818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2818?
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What is the minimum amount of C561-2818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2818
  • 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 C561-2818 available by request