4950-0261 Screening compound: 6-chloro-N,N-diethyl-2-(methylsulfanyl)-5-[(4-propoxyphenyl)methyl]pyrimidin-4-amine

4950-0261 Screening compound: 6-chloro-N,N-diethyl-2-(methylsulfanyl)-5-[(4-propoxyphenyl)methyl]pyrimidin-4-amine
4950-0261 Screening compound: 6-chloro-N,N-diethyl-2-(methylsulfanyl)-5-[(4-propoxyphenyl)methyl]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4950-0261
6-chloro-N,N-diethyl-2-(methylsulfanyl)-5-[(4-propoxyphenyl)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

4950-0261

Molecular Formula

C19H26ClN3OS (C19 H26 ClN3 OS)

Compound Name

6-chloro-N,N-diethyl-2-(methylsulfanyl)-5-[(4-propoxyphenyl)methyl]pyrimidin-4-amine

IUPAC name

6-chloro-NN-diethyl-2-(methylsulfanyl)-5-[(4-propoxyphenyl)methyl]pyrimidin-4-amine

SMILES

CCCOc1ccc(Cc(c(Cl)n2)c(N(CC)CC)nc2SC)cc1

InChI

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

InChI Key

KABLPSBRSXTVTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00607825

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

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.893

Distribution Coefficient, logD

5.893

Water Solubility, LogSw

-6.06

Polar Surface Area

27.984

Acid Dissociation Constant (pKa)

21.20

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

4950-0261 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4950-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4950-0261?
Check Price and Availability of 4950-0261, 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 4950-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4950-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4950-0261
  • 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 4950-0261 available by request