3089-1016 Screening compound: 6-chloro-N,N-diethyl-2-(methylsulfanyl)-5-{[4-(propan-2-yloxy)phenyl]methyl}pyrimidin-4-amine

3089-1016 Screening compound: 6-chloro-N,N-diethyl-2-(methylsulfanyl)-5-{[4-(propan-2-yloxy)phenyl]methyl}pyrimidin-4-amine
3089-1016 Screening compound: 6-chloro-N,N-diethyl-2-(methylsulfanyl)-5-{[4-(propan-2-yloxy)phenyl]methyl}pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3089-1016
6-chloro-N,N-diethyl-2-(methylsulfanyl)-5-{[4-(propan-2-yloxy)phenyl]methyl}pyrimidin-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

3089-1016

Molecular Formula

C19H26ClN3OS (C19 H26 ClN3 OS)

Compound Name

6-chloro-N,N-diethyl-2-(methylsulfanyl)-5-{[4-(propan-2-yloxy)phenyl]methyl}pyrimidin-4-amine

IUPAC name

6-chloro-NN-diethyl-2-(methylsulfanyl)-5-{[4-(propan-2-yloxy)phenyl]methyl}pyrimidin-4-amine

SMILES

CCN(CC)c1c(Cc(cc2)ccc2OC(C)C)c(Cl)nc(SC)n1

InChI

InChI=1S/C19H26ClN3OS/c1-6-23(7-2)18-16(17(20)21-19(22-18)25-5)12-14-8-10-15(11-9-14)24-13(3)4/h8-11,13H,6-7,12H2,1-5H3

InChI Key

YTMHGAOKVAJSHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01958602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.601

Distribution Coefficient, logD

5.601

Water Solubility, LogSw

-5.95

Polar Surface Area

27.369

Acid Dissociation Constant (pKa)

21.20

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

3089-1016 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3089-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3089-1016?
Check Price and Availability of 3089-1016, 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 3089-1016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3089-1016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3089-1016
  • 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 3089-1016 available by request