D277-1864 Screening compound: 4-methyl-2-[(2-methylprop-2-en-1-yl)sulfanyl]-1H-1,3-benzodiazole

D277-1864 Screening compound: 4-methyl-2-[(2-methylprop-2-en-1-yl)sulfanyl]-1H-1,3-benzodiazole
D277-1864 Screening compound: 4-methyl-2-[(2-methylprop-2-en-1-yl)sulfanyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D277-1864
4-methyl-2-[(2-methylprop-2-en-1-yl)sulfanyl]-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

D277-1864

Molecular Formula

C12H14N2S (C12 H14 N2 S)

Compound Name

4-methyl-2-[(2-methylprop-2-en-1-yl)sulfanyl]-1H-1,3-benzodiazole

IUPAC name

4-methyl-2-[(2-methylprop-2-en-1-yl)sulfanyl]-1H-13-benzodiazole

SMILES

CC(CSc1nc(c(C)ccc2)c2[nH]1)=C

InChI

InChI=1S/C12H14N2S/c1-8(2)7-15-12-13-10-6-4-5-9(3)11(10)14-12/h4-6H,1,7H2,2-3H3,(H,13,14)

InChI Key

YEABUUIDNKJEBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08361967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.549

Distribution Coefficient, logD

3.537

Water Solubility, LogSw

-3.62

Polar Surface Area

19.022

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D277-1864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D277-1864?
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What is the minimum amount of D277-1864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D277-1864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D277-1864
  • 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 D277-1864 available by request