Y501-0090 Screening compound: butyl 4-({[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furyl}carbonyl)amino]carbothioyl}amino)benzoate

Y501-0090 Screening compound: butyl 4-({[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furyl}carbonyl)amino]carbothioyl}amino)benzoate
Y501-0090 Screening compound: butyl 4-({[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furyl}carbonyl)amino]carbothioyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-0090
butyl 4-({[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furyl}carbonyl)amino]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

Y501-0090

Molecular Formula

C21H21ClN4O4S (C21 H21 ClN4 O4 S)

Compound Name

butyl 4-({[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furyl}carbonyl)amino]carbothioyl}amino)benzoate

IUPAC name

butyl 4-{[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-yl}formamido)methanethioyl]amino}benzoate

SMILES

CCCCOC(c(cc1)ccc1NC(NC(c1ccc(Cn2ncc(Cl)c2)o1)=O)=S)=O

InChI

InChI=1S/C21H21ClN4O4S/c1-2-3-10-29-20(28)14-4-6-16(7-5-14)24-21(31)25-19(27)18-9-8-17(30-18)13-26-12-15(22)11-23-26/h4-9,11-12H,2-3,10,13H2,1H3,(H2,24,25,27,31)

InChI Key

CAICEVJMRSMKEB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.048

Distribution Coefficient, logD

5.048

Water Solubility, LogSw

-5.09

Polar Surface Area

76.635

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

References: we are preparing a list of scientific research reports with Y501-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-0090?
Check Price and Availability of Y501-0090, 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 Y501-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-0090
  • 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 Y501-0090 available by request