Y600-4554 Screening compound: 4-[(2,5-dioxo-1-phenyltetrahydro-1H-pyrrol-3-yl)amino]-N-ethyltetrahydro-1(2H)-pyridinecarbothioamide

Y600-4554 Screening compound: 4-[(2,5-dioxo-1-phenyltetrahydro-1H-pyrrol-3-yl)amino]-N-ethyltetrahydro-1(2H)-pyridinecarbothioamide
Y600-4554 Screening compound: 4-[(2,5-dioxo-1-phenyltetrahydro-1H-pyrrol-3-yl)amino]-N-ethyltetrahydro-1(2H)-pyridinecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-4554
4-[(2,5-dioxo-1-phenyltetrahydro-1H-pyrrol-3-yl)amino]-N-ethyltetrahydro-1(2H)-pyridinecarbothioamide

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

Y600-4554

Molecular Formula

C18H24N4O2S (C18 H24 N4 O2 S)

Compound Name

4-[(2,5-dioxo-1-phenyltetrahydro-1H-pyrrol-3-yl)amino]-N-ethyltetrahydro-1(2H)-pyridinecarbothioamide

IUPAC name

4-[(25-dioxo-1-phenylpyrrolidin-3-yl)amino]-N-ethylpiperidine-1-carbothioamide

SMILES

CCNC(N(CC1)CCC1NC(CC(N1c2ccccc2)=O)C1=O)=S

InChI

InChI=1S/C18H24N4O2S/c1-2-19-18(25)21-10-8-13(9-11-21)20-15-12-16(23)22(17(15)24)14-6-4-3-5-7-14/h3-7,13,15,20H,2,8-12H2,1H3,(H,19,25)/t15-/m0/s1

InChI Key

GFKQJKJRRKRIQI-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.862

Distribution Coefficient, logD

0.856

Water Solubility, LogSw

-2.16

Polar Surface Area

52.560

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

Y600-4554 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y600-4554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-4554?
Check Price and Availability of Y600-4554, 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 Y600-4554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-4554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-4554
  • 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 Y600-4554 available by request