D622-0119 Screening compound: 1-(4-bromobenzyl)-2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazole

D622-0119 Screening compound: 1-(4-bromobenzyl)-2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazole
D622-0119 Screening compound: 1-(4-bromobenzyl)-2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D622-0119
1-(4-bromobenzyl)-2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazole

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

D622-0119

Molecular Formula

C17H12BrF3N2O2 (C17 H12 BrF3 N2 O2)

Compound Name

1-(4-bromobenzyl)-2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazole

IUPAC name

6-[(4-bromophenyl)methyl]-5-(trifluoromethyl)-1013-dioxa-46-diazatricyclo[7.4.0.0^{37}]trideca-1(9)247-tetraene

SMILES

FC(c1nc(cc2OCCOc2c2)c2n1Cc(cc1)ccc1Br)(F)F

InChI

InChI=1S/C17H12BrF3N2O2/c18-11-3-1-10(2-4-11)9-23-13-8-15-14(24-5-6-25-15)7-12(13)22-16(23)17(19,20)21/h1-4,7-8H,5-6,9H2

InChI Key

DABCVGRZZZXCPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.017

Distribution Coefficient, logD

4.017

Water Solubility, LogSw

-4.30

Polar Surface Area

25.990

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D622-0119 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

BRD4 Targeted Library (4534 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D622-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D622-0119?
Check Price and Availability of D622-0119, 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 D622-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D622-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D622-0119
  • 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 D622-0119 available by request