D575-0019 Screening compound: 4-[4-(1,2-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine

D575-0019 Screening compound: 4-[4-(1,2-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
D575-0019 Screening compound: 4-[4-(1,2-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D575-0019
4-[4-(1,2-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine

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

D575-0019

Molecular Formula

C23H27N5O2S (C23 H27 N5 O2 S)

Compound Name

4-[4-(1,2-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine

IUPAC name

4-[4-(12-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine

SMILES

CCNc1nc(C)cc(N(CC2)CCN2S(c2c(CC3)c4c3cccc4cc2)(=O)=O)n1

InChI

InChI=1S/C23H27N5O2S/c1-3-24-23-25-16(2)15-21(26-23)27-11-13-28(14-12-27)31(29,30)20-10-8-18-6-4-5-17-7-9-19(20)22(17)18/h4-6,8,10,15H,3,7,9,11-14H2,1-2H3,(H,24,25,26)

InChI Key

ZWTCVZAUYHFYBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.809

Distribution Coefficient, logD

4.705

Water Solubility, LogSw

-5.32

Polar Surface Area

64.332

Acid Dissociation Constant (pKa)

18.81

Base Dissociation Constant (pKb)

6.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D575-0019 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with D575-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D575-0019?
Check Price and Availability of D575-0019, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D575-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D575-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D575-0019
  • 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 D575-0019 available by request