Y010-1647 Screening compound: 3-{[[(4-fluorophenyl)imino](methylamino)methyl]sulfanyl}-1-(4-methoxyphenyl)-2,5-dioxopyrrolidine

Y010-1647 Screening compound: 3-{[[(4-fluorophenyl)imino](methylamino)methyl]sulfanyl}-1-(4-methoxyphenyl)-2,5-dioxopyrrolidine
Y010-1647 Screening compound: 3-{[[(4-fluorophenyl)imino](methylamino)methyl]sulfanyl}-1-(4-methoxyphenyl)-2,5-dioxopyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1647
3-{[[(4-fluorophenyl)imino](methylamino)methyl]sulfanyl}-1-(4-methoxyphenyl)-2,5-dioxopyrrolidine

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

Y010-1647

Molecular Formula

C19H18FN3O3S (C19 H18 FN3 O3 S)

Compound Name

3-{[[(4-fluorophenyl)imino](methylamino)methyl]sulfanyl}-1-(4-methoxyphenyl)-2,5-dioxopyrrolidine

IUPAC name

(E)-N'-(4-fluorophenyl)-1-{[1-(4-methoxyphenyl)-25-dioxopyrrolidin-3-yl]sulfanyl}-N-methylmethanimidamide

SMILES

CN/C(/SC(CC(N1c(cc2)ccc2OC)=O)C1=O)=N\c(cc1)ccc1F

InChI

InChI=1S/C19H18FN3O3S/c1-21-19(22-13-5-3-12(20)4-6-13)27-16-11-17(24)23(18(16)25)14-7-9-15(26-2)10-8-14/h3-10,16H,11H2,1-2H3,(H,21,22)/t16-/m0/s1

InChI Key

JJLJGQZRNRLTCN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01447555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.200

Distribution Coefficient, logD

2.198

Water Solubility, LogSw

-2.70

Polar Surface Area

55.734

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.05

References: we are preparing a list of scientific research reports with Y010-1647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1647?
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What is the minimum amount of Y010-1647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1647
  • 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 Y010-1647 available by request