3699-1465 Screening compound: 2-(4-{[(5E)-1-(3-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid

3699-1465 Screening compound: 2-(4-{[(5E)-1-(3-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid
3699-1465 Screening compound: 2-(4-{[(5E)-1-(3-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3699-1465
2-(4-{[(5E)-1-(3-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid

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

3699-1465

Molecular Formula

C20H15ClN2O5S (C20 H15 ClN2 O5 S)

Compound Name

2-(4-{[(5E)-1-(3-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)propanoic acid

IUPAC name

2-(4-{[(5E)-1-(3-chlorophenyl)-46-dioxo-2-sulfanylidene-13-diazinan-5-ylidene]methyl}phenoxy)propanoic acid

SMILES

CC(C(O)=O)Oc1ccc(/C=C(\C(NC(N2c3cccc(Cl)c3)=S)=O)/C2=O)cc1

InChI

InChI=1S/C20H15ClN2O5S/c1-11(19(26)27)28-15-7-5-12(6-8-15)9-16-17(24)22-20(29)23(18(16)25)14-4-2-3-13(21)10-14/h2-11H,1H3,(H,26,27)(H,22,24,29)/t11-/m0/s1

InChI Key

MEVWASZAEAZSCU-NSHDSACASA-N

MDL Number (MFCD)

MFCD02624463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.87

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.116

Distribution Coefficient, logD

-0.883

Water Solubility, LogSw

-3.69

Polar Surface Area

75.426

Acid Dissociation Constant (pKa)

3.40

Base Dissociation Constant (pKb)

-9.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 3699-1465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3699-1465?
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What is the minimum amount of 3699-1465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3699-1465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3699-1465
  • 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 3699-1465 available by request