3886-0606 Screening compound: 3-(3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

3886-0606 Screening compound: 3-(3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
3886-0606 Screening compound: 3-(3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3886-0606
3-(3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

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

3886-0606

Molecular Formula

C11H14N6O2S2 (C11 H14 N6 O2 S2)

Compound Name

3-(3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

IUPAC name

3-(34-dimethyl-2-sulfanylidene-23-dihydro-13-thiazol-5-yl)-1-(4-methoxy-6-methyl-135-triazin-2-yl)urea

SMILES

CC(N1C)=C(NC(Nc2nc(OC)nc(C)n2)=O)SC1=S

InChI

InChI=1S/C11H14N6O2S2/c1-5-7(21-11(20)17(5)3)14-9(18)15-8-12-6(2)13-10(16-8)19-4/h1-4H3,(H2,12,13,14,15,16,18)

InChI Key

ROTIEEWKYVNLQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02637458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.320

Distribution Coefficient, logD

2.131

Water Solubility, LogSw

-2.66

Polar Surface Area

72.237

Acid Dissociation Constant (pKa)

7.66

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

3886-0606 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3886-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3886-0606?
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What is the minimum amount of 3886-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3886-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3886-0606
  • 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 3886-0606 available by request