Y204-1581 Screening compound: 3-{[3-(3,4-dimethylanilino)-3-oxopropyl]sulfanyl}-N~1~-(3,4-dimethylphenyl)propanamide

Y204-1581 Screening compound: 3-{[3-(3,4-dimethylanilino)-3-oxopropyl]sulfanyl}-N~1~-(3,4-dimethylphenyl)propanamide
Y204-1581 Screening compound: 3-{[3-(3,4-dimethylanilino)-3-oxopropyl]sulfanyl}-N~1~-(3,4-dimethylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y204-1581
3-{[3-(3,4-dimethylanilino)-3-oxopropyl]sulfanyl}-N~1~-(3,4-dimethylphenyl)propanamide

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

Y204-1581

Molecular Formula

C22H28N2O2S (C22 H28 N2 O2 S)

Compound Name

3-{[3-(3,4-dimethylanilino)-3-oxopropyl]sulfanyl}-N~1~-(3,4-dimethylphenyl)propanamide

IUPAC name

N-(34-dimethylphenyl)-3-({2-[(34-dimethylphenyl)carbamoyl]ethyl}sulfanyl)propanamide

SMILES

Cc(cc1)c(C)cc1NC(CCSCCC(Nc1cc(C)c(C)cc1)=O)=O

InChI

InChI=1S/C22H28N2O2S/c1-15-5-7-19(13-17(15)3)23-21(25)9-11-27-12-10-22(26)24-20-8-6-16(2)18(4)14-20/h5-8,13-14H,9-12H2,1-4H3,(H,23,25)(H,24,26)

InChI Key

DUPVEBWDOYBBAE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.077

Distribution Coefficient, logD

5.077

Water Solubility, LogSw

-4.76

Polar Surface Area

46.266

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

Y204-1581 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y204-1581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y204-1581?
Check Price and Availability of Y204-1581, 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 Y204-1581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y204-1581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y204-1581
  • 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 Y204-1581 available by request