E857-2634 Screening compound: 2-[N-(4-chlorophenyl)-1-(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)formamido]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

E857-2634 Screening compound: 2-[N-(4-chlorophenyl)-1-(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)formamido]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
E857-2634 Screening compound: 2-[N-(4-chlorophenyl)-1-(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)formamido]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E857-2634
2-[N-(4-chlorophenyl)-1-(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)formamido]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

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

E857-2634

Molecular Formula

C24H25ClN2O3S (C24 H25 ClN2 O3 S)

Compound Name

2-[N-(4-chlorophenyl)-1-(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)formamido]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

IUPAC name

2-[N-(4-chlorophenyl)-1-(2-methyl-56-dihydro-14-oxathiin-3-yl)formamido]-N-(1234-tetrahydronaphthalen-1-yl)acetamide

SMILES

CC1=C(C(N(CC(NC(CCC2)c3c2cccc3)=O)c(cc2)ccc2Cl)=O)SCCO1

InChI

InChI=1S/C24H25ClN2O3S/c1-16-23(31-14-13-30-16)24(29)27(19-11-9-18(25)10-12-19)15-22(28)26-21-8-4-6-17-5-2-3-7-20(17)21/h2-3,5,7,9-12,21H,4,6,8,13-15H2,1H3,(H,26,28)/t21-/m0/s1

InChI Key

YKAHGRSFVYWDPK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14923508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.114

Distribution Coefficient, logD

4.114

Water Solubility, LogSw

-4.48

Polar Surface Area

48.175

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E857-2634 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E857-2634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E857-2634?
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What is the minimum amount of E857-2634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E857-2634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E857-2634
  • 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 E857-2634 available by request