Y503-4006 Screening compound: ethyl 4-[({2-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]hydrazino}carbothioyl)amino]benzoate

Y503-4006 Screening compound: ethyl 4-[({2-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]hydrazino}carbothioyl)amino]benzoate
Y503-4006 Screening compound: ethyl 4-[({2-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]hydrazino}carbothioyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-4006
ethyl 4-[({2-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]hydrazino}carbothioyl)amino]benzoate

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

Y503-4006

Molecular Formula

C17H20BrN5O3S (C17 H20 BrN5 O3 S)

Compound Name

ethyl 4-[({2-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]hydrazino}carbothioyl)amino]benzoate

IUPAC name

ethyl 4-({[2-(4-bromo-35-dimethyl-1H-pyrazol-1-yl)acetohydrazido]methanethioyl}amino)benzoate

SMILES

CCOC(c(cc1)ccc1NC(NNC(Cn1nc(C)c(Br)c1C)=O)=S)=O

InChI

InChI=1S/C17H20BrN5O3S/c1-4-26-16(25)12-5-7-13(8-6-12)19-17(27)21-20-14(24)9-23-11(3)15(18)10(2)22-23/h5-8H,4,9H2,1-3H3,(H,20,24)(H2,19,21,27)

InChI Key

UAXYXZVKSOVIBO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.292

Distribution Coefficient, logD

2.284

Water Solubility, LogSw

-2.81

Polar Surface Area

82.260

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

References: we are preparing a list of scientific research reports with Y503-4006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-4006?
Check Price and Availability of Y503-4006, 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 Y503-4006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-4006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-4006
  • 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 Y503-4006 available by request