F018-3843 Screening compound: 1-{4-[3-bromo-5-ethoxy-4-(propan-2-yloxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl}ethan-1-one

F018-3843 Screening compound: 1-{4-[3-bromo-5-ethoxy-4-(propan-2-yloxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl}ethan-1-one
F018-3843 Screening compound: 1-{4-[3-bromo-5-ethoxy-4-(propan-2-yloxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F018-3843
1-{4-[3-bromo-5-ethoxy-4-(propan-2-yloxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl}ethan-1-one

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

F018-3843

Molecular Formula

C18H23BrN2O3S (C18 H23 BrN2 O3 S)

Compound Name

1-{4-[3-bromo-5-ethoxy-4-(propan-2-yloxy)phenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl}ethan-1-one

IUPAC name

1-{4-[3-bromo-5-ethoxy-4-(propan-2-yloxy)phenyl]-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidin-5-yl}ethan-1-one

SMILES

CCOc1cc(C(C(C(C)=O)=C(C)N2)NC2=S)cc(Br)c1OC(C)C

InChI

InChI=1S/C18H23BrN2O3S/c1-6-23-14-8-12(7-13(19)17(14)24-9(2)3)16-15(11(5)22)10(4)20-18(25)21-16/h7-9,16H,6H2,1-5H3,(H2,20,21,25)/t16-/m0/s1

InChI Key

MBQJCJWVEBYHQL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03864072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.304

Distribution Coefficient, logD

3.301

Water Solubility, LogSw

-3.55

Polar Surface Area

50.687

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-6.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

F018-3843 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with F018-3843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F018-3843?
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What is the minimum amount of F018-3843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F018-3843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F018-3843
  • 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 F018-3843 available by request