E776-1537 Screening compound: 4-{5-methyl-4-[(4-methylbenzenesulfinyl)methyl]-1,3-oxazol-2-yl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

E776-1537 Screening compound: 4-{5-methyl-4-[(4-methylbenzenesulfinyl)methyl]-1,3-oxazol-2-yl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
E776-1537 Screening compound: 4-{5-methyl-4-[(4-methylbenzenesulfinyl)methyl]-1,3-oxazol-2-yl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E776-1537
4-{5-methyl-4-[(4-methylbenzenesulfinyl)methyl]-1,3-oxazol-2-yl}-N-(1,2,3,4-tetrahydronaphthalen-1-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

E776-1537

Molecular Formula

C29H28N2O3S (C29 H28 N2 O3 S)

Compound Name

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

IUPAC name

4-{5-methyl-4-[(4-methylbenzenesulfinyl)methyl]-13-oxazol-2-yl}-N-(1234-tetrahydronaphthalen-1-yl)benzamide

SMILES

Cc1c(CS(c2ccc(C)cc2)=O)nc(-c(cc2)ccc2C(NC(CCC2)c3c2cccc3)=O)o1

InChI

InChI=1S/C29H30N2O3S/c1-19-10-16-24(17-11-19)35(33)18-27-20(2)34-29(31-27)23-14-12-22(13-15-23)28(32)30-26-9-5-7-21-6-3-4-8-25(21)26/h3-4,6,8,10-17,26H,5,7,9,18,35H2,1-2H3,(H,30,32)

InChI Key

KFWVABPTPJYMRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.543

Distribution Coefficient, logD

5.543

Water Solubility, LogSw

-5.46

Polar Surface Area

57.758

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

E776-1537 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E776-1537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E776-1537?
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What is the minimum amount of E776-1537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E776-1537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E776-1537
  • 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 E776-1537 available by request