8017-6413 Screening compound: N-{4-[(4-chloro-6-methyl-2-pyrimidinyl)sulfanyl]-6-morpholino-1,3,5-triazin-2-yl}-N-methylamine

8017-6413 Screening compound: N-{4-[(4-chloro-6-methyl-2-pyrimidinyl)sulfanyl]-6-morpholino-1,3,5-triazin-2-yl}-N-methylamine
8017-6413 Screening compound: N-{4-[(4-chloro-6-methyl-2-pyrimidinyl)sulfanyl]-6-morpholino-1,3,5-triazin-2-yl}-N-methylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6413
N-{4-[(4-chloro-6-methyl-2-pyrimidinyl)sulfanyl]-6-morpholino-1,3,5-triazin-2-yl}-N-methylamine

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

8017-6413

Molecular Formula

C13H16ClN7OS (C13 H16 ClN7 OS)

Compound Name

N-{4-[(4-chloro-6-methyl-2-pyrimidinyl)sulfanyl]-6-morpholino-1,3,5-triazin-2-yl}-N-methylamine

IUPAC name

4-[(4-chloro-6-methylpyrimidin-2-yl)sulfanyl]-N-methyl-6-(morpholin-4-yl)-135-triazin-2-amine

SMILES

Cc1cc(Cl)nc(Sc2nc(N3CCOCC3)nc(NC)n2)n1

InChI

InChI=1S/C13H16ClN7OS/c1-8-7-9(14)17-12(16-8)23-13-19-10(15-2)18-11(20-13)21-3-5-22-6-4-21/h7H,3-6H2,1-2H3,(H,15,18,19,20)

InChI Key

BCPBTLDLIZFJRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.096

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.58

Polar Surface Area

67.601

Acid Dissociation Constant (pKa)

17.79

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

8017-6413 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-6413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6413?
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What is the minimum amount of 8017-6413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6413
  • 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 8017-6413 available by request