C561-3017 Screening compound: 3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}-N-[1-(thiophen-2-yl)propyl]propanamide

C561-3017 Screening compound: 3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}-N-[1-(thiophen-2-yl)propyl]propanamide
C561-3017 Screening compound: 3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}-N-[1-(thiophen-2-yl)propyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-3017
3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}-N-[1-(thiophen-2-yl)propyl]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

C561-3017

Molecular Formula

C21H26N4O3S (C21 H26 N4 O3 S)

Compound Name

3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-6-yl}-N-[1-(thiophen-2-yl)propyl]propanamide

IUPAC name

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

SMILES

CCC(c1cccs1)NC(CCc(c(C)c1C(N2C)=O)c(C)nc1N(C)C2=O)=O

InChI

InChI=1S/C21H26N4O3S/c1-6-15(16-8-7-11-29-16)23-17(26)10-9-14-12(2)18-19(22-13(14)3)24(4)21(28)25(5)20(18)27/h7-8,11,15H,6,9-10H2,1-5H3,(H,23,26)/t15-/m0/s1

InChI Key

CVEFDACECOEEJQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14771858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.329

Distribution Coefficient, logD

3.328

Water Solubility, LogSw

-3.75

Polar Surface Area

66.666

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

C561-3017 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C561-3017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-3017?
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What is the minimum amount of C561-3017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-3017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-3017
  • 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 C561-3017 available by request