7398-1674 Screening compound: 1-[(4-tert-butylphenyl)methyl]-2-(ethanesulfonyl)-1H-1,3-benzodiazole

7398-1674 Screening compound: 1-[(4-tert-butylphenyl)methyl]-2-(ethanesulfonyl)-1H-1,3-benzodiazole
7398-1674 Screening compound: 1-[(4-tert-butylphenyl)methyl]-2-(ethanesulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7398-1674
1-[(4-tert-butylphenyl)methyl]-2-(ethanesulfonyl)-1H-1,3-benzodiazole

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

7398-1674

Molecular Formula

C20H24N2O2S (C20 H24 N2 O2 S)

Compound Name

1-[(4-tert-butylphenyl)methyl]-2-(ethanesulfonyl)-1H-1,3-benzodiazole

IUPAC name

1-[(4-tert-butylphenyl)methyl]-2-(ethanesulfonyl)-1H-13-benzodiazole

SMILES

CCS(c1nc(cccc2)c2n1Cc1ccc(C(C)(C)C)cc1)(=O)=O

InChI

InChI=1S/C20H24N2O2S/c1-5-25(23,24)19-21-17-8-6-7-9-18(17)22(19)14-15-10-12-16(13-11-15)20(2,3)4/h6-13H,5,14H2,1-4H3

InChI Key

GVTMOKLAJWNSNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05258317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.091

Distribution Coefficient, logD

5.091

Water Solubility, LogSw

-4.95

Polar Surface Area

40.157

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

7398-1674 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7398-1674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7398-1674?
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What is the minimum amount of 7398-1674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7398-1674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7398-1674
  • 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 7398-1674 available by request