V013-9812 Screening compound: 6-ethyl-N-methyl-2-({[5-(morpholine-4-carbonyl)furan-2-yl]methyl}sulfanyl)-N-propylpyrimidin-4-amine

V013-9812 Screening compound: 6-ethyl-N-methyl-2-({[5-(morpholine-4-carbonyl)furan-2-yl]methyl}sulfanyl)-N-propylpyrimidin-4-amine
V013-9812 Screening compound: 6-ethyl-N-methyl-2-({[5-(morpholine-4-carbonyl)furan-2-yl]methyl}sulfanyl)-N-propylpyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9812
6-ethyl-N-methyl-2-({[5-(morpholine-4-carbonyl)furan-2-yl]methyl}sulfanyl)-N-propylpyrimidin-4-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

V013-9812

Molecular Formula

C20H28N4O3S (C20 H28 N4 O3 S)

Compound Name

6-ethyl-N-methyl-2-({[5-(morpholine-4-carbonyl)furan-2-yl]methyl}sulfanyl)-N-propylpyrimidin-4-amine

IUPAC name

6-ethyl-N-methyl-2-({[5-(morpholine-4-carbonyl)furan-2-yl]methyl}sulfanyl)-N-propylpyrimidin-4-amine

SMILES

CCCN(C)c1cc(CC)nc(SCc2ccc(C(N3CCOCC3)=O)o2)n1

InChI

InChI=1S/C20H28N4O3S/c1-4-8-23(3)18-13-15(5-2)21-20(22-18)28-14-16-6-7-17(27-16)19(25)24-9-11-26-12-10-24/h6-7,13H,4-5,8-12,14H2,1-3H3

InChI Key

LYIPUBCVQIOVTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19978397

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

404.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.714

Distribution Coefficient, logD

3.711

Water Solubility, LogSw

-3.75

Polar Surface Area

52.822

Acid Dissociation Constant (pKa)

23.70

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

V013-9812 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V013-9812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9812?
Check Price and Availability of V013-9812, 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 V013-9812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9812
  • 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 V013-9812 available by request