E245-1618 Screening compound: N~4~-(2-ethylphenyl)-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]-4-piperidinecarboxamide

E245-1618 Screening compound: N~4~-(2-ethylphenyl)-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]-4-piperidinecarboxamide
E245-1618 Screening compound: N~4~-(2-ethylphenyl)-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E245-1618
N~4~-(2-ethylphenyl)-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]-4-piperidinecarboxamide

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

E245-1618

Molecular Formula

C22H25N3O5S (C22 H25 N3 O5 S)

Compound Name

N~4~-(2-ethylphenyl)-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]-4-piperidinecarboxamide

IUPAC name

N-(2-ethylphenyl)-1-[(3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide

SMILES

CCc(cccc1)c1NC(C(CC1)CCN1S(c(cc1)cc(N2)c1OCC2=O)(=O)=O)=O

InChI

InChI=1S/C22H25N3O5S/c1-2-15-5-3-4-6-18(15)24-22(27)16-9-11-25(12-10-16)31(28,29)17-7-8-20-19(13-17)23-21(26)14-30-20/h3-8,13,16H,2,9-12,14H2,1H3,(H,23,26)(H,24,27)

InChI Key

AWJSIYUCRLKNTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14852942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.387

Distribution Coefficient, logD

2.387

Water Solubility, LogSw

-2.98

Polar Surface Area

87.613

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with E245-1618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E245-1618?
Check Price and Availability of E245-1618, 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 E245-1618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E245-1618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E245-1618
  • 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 E245-1618 available by request