3970-1144 Screening compound: 5-({3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

3970-1144 Screening compound: 5-({3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
3970-1144 Screening compound: 5-({3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3970-1144
5-({3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

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

3970-1144

Molecular Formula

C18H11Cl2FN2O3S (C18 H11 Cl2 FN2 O3 S)

Compound Name

5-({3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

5-({35-dichloro-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-2-sulfanylidene-13-diazinane-46-dione

SMILES

O=C(C(C(N1)=O)=Cc(cc2Cl)cc(Cl)c2OCc(cc2)ccc2F)NC1=S

InChI

InChI=1S/C18H11Cl2FN2O3S/c19-13-6-10(5-12-16(24)22-18(27)23-17(12)25)7-14(20)15(13)26-8-9-1-3-11(21)4-2-9/h1-7H,8H2,(H2,22,23,24,25,27)

InChI Key

HBAOKWBRQDXTMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02194701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.122

Distribution Coefficient, logD

4.696

Water Solubility, LogSw

-5.74

Polar Surface Area

57.027

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-9.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 3970-1144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3970-1144?
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What is the minimum amount of 3970-1144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3970-1144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3970-1144
  • 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 3970-1144 available by request