3715-0052 Screening compound: 2-{[(4-bromophenyl)methyl]sulfanyl}-1-methyl-1H-imidazole

3715-0052 Screening compound: 2-{[(4-bromophenyl)methyl]sulfanyl}-1-methyl-1H-imidazole
3715-0052 Screening compound: 2-{[(4-bromophenyl)methyl]sulfanyl}-1-methyl-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3715-0052
2-{[(4-bromophenyl)methyl]sulfanyl}-1-methyl-1H-imidazole

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

3715-0052

Molecular Formula

C11H11BrN2S (C11 H11 BrN2 S)

Compound Name

2-{[(4-bromophenyl)methyl]sulfanyl}-1-methyl-1H-imidazole

IUPAC name

2-{[(4-bromophenyl)methyl]sulfanyl}-1-methyl-1H-imidazole

SMILES

Cn1c(SCc(cc2)ccc2Br)ncc1

InChI

InChI=1S/C11H11BrN2S/c1-14-7-6-13-11(14)15-8-9-2-4-10(12)5-3-9/h2-7H,8H2,1H3

InChI Key

HPBLDRIHTQVEPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02020576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.19

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.925

Distribution Coefficient, logD

2.720

Water Solubility, LogSw

-2.95

Polar Surface Area

12.886

Acid Dissociation Constant (pKa)

24.04

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3715-0052 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Crystallographic and 19F NMR fragment-libraries (624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3715-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3715-0052?
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What is the minimum amount of 3715-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3715-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3715-0052
  • 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 3715-0052 available by request