E776-1954 Screening compound: 1-(4-{4-[(benzenesulfonyl)methyl]-5-methyl-1,3-oxazol-2-yl}benzoyl)-2,3-dihydro-1H-indole

E776-1954 Screening compound: 1-(4-{4-[(benzenesulfonyl)methyl]-5-methyl-1,3-oxazol-2-yl}benzoyl)-2,3-dihydro-1H-indole
E776-1954 Screening compound: 1-(4-{4-[(benzenesulfonyl)methyl]-5-methyl-1,3-oxazol-2-yl}benzoyl)-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound E776-1954
1-(4-{4-[(benzenesulfonyl)methyl]-5-methyl-1,3-oxazol-2-yl}benzoyl)-2,3-dihydro-1H-indole

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

E776-1954

Molecular Formula

C26H22N2O4S (C26 H22 N2 O4 S)

Compound Name

1-(4-{4-[(benzenesulfonyl)methyl]-5-methyl-1,3-oxazol-2-yl}benzoyl)-2,3-dihydro-1H-indole

IUPAC name

1-(4-{4-[(benzenesulfonyl)methyl]-5-methyl-13-oxazol-2-yl}benzoyl)-23-dihydro-1H-indole

SMILES

Cc1c(CS(c2ccccc2)(=O)=O)nc(-c(cc2)ccc2C(N(CC2)c3c2cccc3)=O)o1

InChI

InChI=1S/C26H22N2O4S/c1-18-23(17-33(30,31)22-8-3-2-4-9-22)27-25(32-18)20-11-13-21(14-12-20)26(29)28-16-15-19-7-5-6-10-24(19)28/h2-14H,15-17H2,1H3

InChI Key

UFYYFJDVPAVTRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.058

Distribution Coefficient, logD

4.058

Water Solubility, LogSw

-4.16

Polar Surface Area

62.804

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

E776-1954 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E776-1954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E776-1954?
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What is the minimum amount of E776-1954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E776-1954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E776-1954
  • 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 E776-1954 available by request