D011-2902 Screening compound: 2-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole

D011-2902 Screening compound: 2-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole
D011-2902 Screening compound: 2-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-2902
2-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-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

D011-2902

Molecular Formula

C15H13FN2S (C15 H13 FN2 S)

Compound Name

2-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1H-1,3-benzodiazole

IUPAC name

2-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1H-13-benzodiazole

SMILES

Fc1ccc(CSCc2nc(cccc3)c3[nH]2)cc1

InChI

InChI=1S/C15H13FN2S/c16-12-7-5-11(6-8-12)9-19-10-15-17-13-3-1-2-4-14(13)18-15/h1-8H,9-10H2,(H,17,18)

InChI Key

RPWPMKZHADPNDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06259432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.35

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.015

Distribution Coefficient, logD

4.014

Water Solubility, LogSw

-4.41

Polar Surface Area

20.248

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

D011-2902 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D011-2902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-2902?
Check Price and Availability of D011-2902, 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 D011-2902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-2902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-2902
  • 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 D011-2902 available by request