E776-1724 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-{5-methyl-4-[(4-methylbenzenesulfonyl)methyl]-1,3-oxazol-2-yl}benzamide

E776-1724 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-{5-methyl-4-[(4-methylbenzenesulfonyl)methyl]-1,3-oxazol-2-yl}benzamide
E776-1724 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-{5-methyl-4-[(4-methylbenzenesulfonyl)methyl]-1,3-oxazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E776-1724
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-{5-methyl-4-[(4-methylbenzenesulfonyl)methyl]-1,3-oxazol-2-yl}benzamide

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

E776-1724

Molecular Formula

C26H31N3O4S (C26 H31 N3 O4 S)

Compound Name

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-{5-methyl-4-[(4-methylbenzenesulfonyl)methyl]-1,3-oxazol-2-yl}benzamide

IUPAC name

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-{5-methyl-4-[(4-methylbenzenesulfonyl)methyl]-13-oxazol-2-yl}benzamide

SMILES

CCN1C(CNC(c(cc2)ccc2-c2nc(CS(c3ccc(C)cc3)(=O)=O)c(C)o2)=O)CCC1

InChI

InChI=1S/C26H31N3O4S/c1-4-29-15-5-6-22(29)16-27-25(30)20-9-11-21(12-10-20)26-28-24(19(3)33-26)17-34(31,32)23-13-7-18(2)8-14-23/h7-14,22H,4-6,15-17H2,1-3H3,(H,27,30)/t22-/m1/s1

InChI Key

HOBQHZSUGLUZRW-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14918107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.302

Distribution Coefficient, logD

2.761

Water Solubility, LogSw

-3.59

Polar Surface Area

75.445

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

E776-1724 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E776-1724 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E776-1724?
Check Price and Availability of E776-1724, 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 E776-1724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E776-1724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E776-1724
  • 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 E776-1724 available by request