4327-3199 Screening compound: 1-(4-bromophenyl)-2-[(1-propyl-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-one

4327-3199 Screening compound: 1-(4-bromophenyl)-2-[(1-propyl-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-one
4327-3199 Screening compound: 1-(4-bromophenyl)-2-[(1-propyl-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4327-3199
1-(4-bromophenyl)-2-[(1-propyl-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-one

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

4327-3199

Molecular Formula

C18H17BrN2OS (C18 H17 BrN2 OS)

Compound Name

1-(4-bromophenyl)-2-[(1-propyl-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-one

IUPAC name

1-(4-bromophenyl)-2-[(1-propyl-1H-13-benzodiazol-2-yl)sulfanyl]ethan-1-one

SMILES

CCCn1c(SCC(c(cc2)ccc2Br)=O)nc2c1cccc2

InChI

InChI=1S/C18H17BrN2OS/c1-2-11-21-16-6-4-3-5-15(16)20-18(21)23-12-17(22)13-7-9-14(19)10-8-13/h3-10H,2,11-12H2,1H3

InChI Key

NEYPISYDZYTOFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01163865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.450

Distribution Coefficient, logD

5.450

Water Solubility, LogSw

-5.47

Polar Surface Area

23.974

Acid Dissociation Constant (pKa)

17.13

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4327-3199 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with 4327-3199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4327-3199?
Check Price and Availability of 4327-3199, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4327-3199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4327-3199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4327-3199
  • 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 4327-3199 available by request