Y600-2530 Screening compound: dimethyl 5-({[2-(3,5-dimethoxybenzoyl)hydrazino]carbothioyl}amino)isophthalate

Y600-2530 Screening compound: dimethyl 5-({[2-(3,5-dimethoxybenzoyl)hydrazino]carbothioyl}amino)isophthalate
Y600-2530 Screening compound: dimethyl 5-({[2-(3,5-dimethoxybenzoyl)hydrazino]carbothioyl}amino)isophthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-2530
dimethyl 5-({[2-(3,5-dimethoxybenzoyl)hydrazino]carbothioyl}amino)isophthalate

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

Y600-2530

Molecular Formula

C20H21N3O7S (C20 H21 N3 O7 S)

Compound Name

dimethyl 5-({[2-(3,5-dimethoxybenzoyl)hydrazino]carbothioyl}amino)isophthalate

IUPAC name

13-dimethyl 5-({[(35-dimethoxyphenyl)formohydrazido]methanethioyl}amino)benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(NNC(c2cc(OC)cc(OC)c2)=O)=S)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C20H21N3O7S/c1-27-15-8-11(9-16(10-15)28-2)17(24)22-23-20(31)21-14-6-12(18(25)29-3)5-13(7-14)19(26)30-4/h5-10H,1-4H3,(H,22,24)(H2,21,23,31)

InChI Key

ULOHMDMMSJUSSD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.502

Distribution Coefficient, logD

3.493

Water Solubility, LogSw

-3.77

Polar Surface Area

104.601

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with Y600-2530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-2530?
Check Price and Availability of Y600-2530, 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 Y600-2530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-2530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-2530
  • 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 Y600-2530 available by request