8016-3307 Screening compound: 5-ethyl-4-methyl-6-[3-(methylsulfanyl)-1H-1,2-diaziren-1-yl]-2-pyrimidinamine

8016-3307 Screening compound: 5-ethyl-4-methyl-6-[3-(methylsulfanyl)-1H-1,2-diaziren-1-yl]-2-pyrimidinamine
8016-3307 Screening compound: 5-ethyl-4-methyl-6-[3-(methylsulfanyl)-1H-1,2-diaziren-1-yl]-2-pyrimidinamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3307
5-ethyl-4-methyl-6-[3-(methylsulfanyl)-1H-1,2-diaziren-1-yl]-2-pyrimidinamine

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

8016-3307

Molecular Formula

C9H13N5S (C9 H13 N5 S)

Compound Name

5-ethyl-4-methyl-6-[3-(methylsulfanyl)-1H-1,2-diaziren-1-yl]-2-pyrimidinamine

IUPAC name

5-ethyl-4-methyl-6-[3-(methylsulfanyl)-1H-diazirin-1-yl]pyrimidin-2-amine

SMILES

CCc1c(C)nc(N)nc1N1N=C1SC

InChI

InChI=1S/C9H13N5S/c1-4-6-5(2)11-8(10)12-7(6)14-9(13-14)15-3/h4H2,1-3H3,(H2,10,11,12)

InChI Key

NATGCGXHXBFUMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05855515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

223.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.151

Distribution Coefficient, logD

2.057

Water Solubility, LogSw

-2.08

Polar Surface Area

55.006

Acid Dissociation Constant (pKa)

19.57

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

8016-3307 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 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 8016-3307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3307?
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What is the minimum amount of 8016-3307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3307
  • 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 8016-3307 available by request