Y508-1136 Screening compound: 1-(4-bromophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl 2-[(E)-1-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-hydrazinecarboximidothioate

Y508-1136 Screening compound: 1-(4-bromophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl 2-[(E)-1-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-hydrazinecarboximidothioate
Y508-1136 Screening compound: 1-(4-bromophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl 2-[(E)-1-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-hydrazinecarboximidothioate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-1136
1-(4-bromophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl 2-[(E)-1-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-hydrazinecarboximidothioate

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

Y508-1136

Molecular Formula

C20H19BrN4O5S (C20 H19 BrN4 O5 S)

Compound Name

1-(4-bromophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl 2-[(E)-1-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-hydrazinecarboximidothioate

IUPAC name

n/a

SMILES

COc1cc(/C=N/NC(SC(CC(N2c(cc3)ccc3Br)=O)C2=O)=N)cc(OC)c1O

InChI

InChI=1S/C20H19BrN4O5S/c1-29-14-7-11(8-15(30-2)18(14)27)10-23-24-20(22)31-16-9-17(26)25(19(16)28)13-5-3-12(21)4-6-13/h3-8,10,16,27H,9H2,1-2H3,(H2,22,24)/t16-/m1/s1

InChI Key

IIQRDQCYKSOWLZ-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.200

Distribution Coefficient, logD

1.053

Water Solubility, LogSw

-2.79

Polar Surface Area

100.585

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with Y508-1136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-1136?
Check Price and Availability of Y508-1136, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y508-1136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-1136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-1136
  • 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 Y508-1136 available by request