6937-0289 Screening compound: 4-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate

6937-0289 Screening compound: 4-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate
6937-0289 Screening compound: 4-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6937-0289
4-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate

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

6937-0289

Molecular Formula

C25H19BrN2O2S (C25 H19 BrN2 O2 S)

Compound Name

4-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate

IUPAC name

4-[(1-benzyl-1H-13-benzodiazol-2-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate

SMILES

O=C(c(cc1)ccc1Br)OCC#CCSc1nc(cccc2)c2n1Cc1ccccc1

InChI

InChI=1S/C25H19BrN2O2S/c26-21-14-12-20(13-15-21)24(29)30-16-6-7-17-31-25-27-22-10-4-5-11-23(22)28(25)18-19-8-2-1-3-9-19/h1-5,8-15H,16-18H2

InChI Key

DAJNJYZFKJOENL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04392285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.341

Distribution Coefficient, logD

7.340

Water Solubility, LogSw

-6.17

Polar Surface Area

31.525

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

6937-0289 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6937-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6937-0289?
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What is the minimum amount of 6937-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6937-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6937-0289
  • 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 6937-0289 available by request