F018-3862 Screening compound: 1-[4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one

F018-3862 Screening compound: 1-[4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one
F018-3862 Screening compound: 1-[4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F018-3862
1-[4-(3-chloro-4-hydroxy-5-methoxyphenyl)-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

F018-3862

Molecular Formula

C14H15ClN2O3S (C14 H15 ClN2 O3 S)

Compound Name

1-[4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethan-1-one

IUPAC name

1-[4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidin-5-yl]ethan-1-one

SMILES

CC(C(C(c(cc1OC)cc(Cl)c1O)N1)=C(C)NC1=S)=O

InChI

InChI=1S/C14H15ClN2O3S/c1-6-11(7(2)18)12(17-14(21)16-6)8-4-9(15)13(19)10(5-8)20-3/h4-5,12,19H,1-3H3,(H2,16,17,21)/t12-/m0/s1

InChI Key

IWIRAPRROYTNEH-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03273276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.091

Distribution Coefficient, logD

2.052

Water Solubility, LogSw

-2.89

Polar Surface Area

59.611

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

-6.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

F018-3862 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F018-3862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F018-3862?
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What is the minimum amount of F018-3862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F018-3862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F018-3862
  • 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 F018-3862 available by request