Y043-5590 Screening compound: (2S)-N-[4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-4-methyl-2-(1H-pyrrol-1-yl)pentanamide

Y043-5590 Screening compound: (2S)-N-[4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-4-methyl-2-(1H-pyrrol-1-yl)pentanamide
Y043-5590 Screening compound: (2S)-N-[4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-4-methyl-2-(1H-pyrrol-1-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5590
(2S)-N-[4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-4-methyl-2-(1H-pyrrol-1-yl)pentanamide

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

Y043-5590

Molecular Formula

C20H27N3O3S (C20 H27 N3 O3 S)

Compound Name

(2S)-N-[4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-4-methyl-2-(1H-pyrrol-1-yl)pentanamide

IUPAC name

(2S)-N-[4-(11-dioxo-1lambda62-thiazinan-2-yl)phenyl]-4-methyl-2-(1H-pyrrol-1-yl)pentanamide

SMILES

CC(C)CC(C(Nc(cc1)ccc1N(CCCC1)S1(=O)=O)=O)n1cccc1

InChI

InChI=1S/C20H27N3O3S/c1-16(2)15-19(22-11-3-4-12-22)20(24)21-17-7-9-18(10-8-17)23-13-5-6-14-27(23,25)26/h3-4,7-12,16,19H,5-6,13-15H2,1-2H3,(H,21,24)/t19-/m0/s1

InChI Key

IVOWYGONVRBOOA-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.015

Distribution Coefficient, logD

3.015

Water Solubility, LogSw

-3.57

Polar Surface Area

58.793

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

Y043-5590 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-5590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5590?
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What is the minimum amount of Y043-5590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5590
  • 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 Y043-5590 available by request