Y042-4055 Screening compound: 1-[4-(1-azepanylsulfonyl)phenyl]-5-oxo-N-(2-pyridylmethyl)-3-pyrrolidinecarboxamide

Y042-4055 Screening compound: 1-[4-(1-azepanylsulfonyl)phenyl]-5-oxo-N-(2-pyridylmethyl)-3-pyrrolidinecarboxamide
Y042-4055 Screening compound: 1-[4-(1-azepanylsulfonyl)phenyl]-5-oxo-N-(2-pyridylmethyl)-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-4055
1-[4-(1-azepanylsulfonyl)phenyl]-5-oxo-N-(2-pyridylmethyl)-3-pyrrolidinecarboxamide

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

Y042-4055

Molecular Formula

C23H28N4O4S (C23 H28 N4 O4 S)

Compound Name

1-[4-(1-azepanylsulfonyl)phenyl]-5-oxo-N-(2-pyridylmethyl)-3-pyrrolidinecarboxamide

IUPAC name

1-[4-(azepane-1-sulfonyl)phenyl]-5-oxo-N-[(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide

SMILES

O=C(C(CC1=O)CN1c(cc1)ccc1S(N1CCCCCC1)(=O)=O)NCc1ncccc1

InChI

InChI=1S/C23H28N4O4S/c28-22-15-18(23(29)25-16-19-7-3-4-12-24-19)17-27(22)20-8-10-21(11-9-20)32(30,31)26-13-5-1-2-6-14-26/h3-4,7-12,18H,1-2,5-6,13-17H2,(H,25,29)/t18-/m1/s1

InChI Key

KSDUJOZWLOCDCS-GOSISDBHSA-N

MDL Number (MFCD)

MFCD13756876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.631

Distribution Coefficient, logD

1.631

Water Solubility, LogSw

-2.53

Polar Surface Area

82.987

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

Y042-4055 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-4055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-4055?
Check Price and Availability of Y042-4055, 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 Y042-4055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-4055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-4055
  • 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 Y042-4055 available by request