Y501-5994 Screening compound: N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-N'-(4-methoxybenzoyl)thiourea

Y501-5994 Screening compound: N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-N'-(4-methoxybenzoyl)thiourea
Y501-5994 Screening compound: N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-N'-(4-methoxybenzoyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-5994
N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-N'-(4-methoxybenzoyl)thiourea

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

Y501-5994

Molecular Formula

C21H21N3O2S2 (C21 H21 N3 O2 S2)

Compound Name

N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-N'-(4-methoxybenzoyl)thiourea

IUPAC name

3-[4-(25-dimethylphenyl)-5-methyl-13-thiazol-2-yl]-1-(4-methoxybenzoyl)thiourea

SMILES

Cc1c(-c2c(C)ccc(C)c2)nc(NC(NC(c(cc2)ccc2OC)=O)=S)s1

InChI

InChI=1S/C21H21N3O2S2/c1-12-5-6-13(2)17(11-12)18-14(3)28-21(22-18)24-20(27)23-19(25)15-7-9-16(26-4)10-8-15/h5-11H,1-4H3,(H2,22,23,24,25,27)

InChI Key

PMYNHHXUUPZUEB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.776

Distribution Coefficient, logD

5.776

Water Solubility, LogSw

-5.51

Polar Surface Area

51.329

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

References: we are preparing a list of scientific research reports with Y501-5994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-5994?
Check Price and Availability of Y501-5994, 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 Y501-5994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-5994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-5994
  • 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 Y501-5994 available by request