D622-0108 Screening compound: N~1~,N~1~-diethyl-2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl]acetamide

D622-0108 Screening compound: N~1~,N~1~-diethyl-2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl]acetamide
D622-0108 Screening compound: N~1~,N~1~-diethyl-2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D622-0108
N~1~,N~1~-diethyl-2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl]acetamide

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

D622-0108

Molecular Formula

C16H18F3N3O3 (C16 H18 F3 N3 O3)

Compound Name

N~1~,N~1~-diethyl-2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl]acetamide

IUPAC name

NN-diethyl-2-[5-(trifluoromethyl)-1013-dioxa-46-diazatricyclo[7.4.0.0^{37}]trideca-1(9)257-tetraen-4-yl]acetamide

SMILES

CCN(CC)C(Cn1c(cc2OCCOc2c2)c2nc1C(F)(F)F)=O

InChI

InChI=1S/C16H18F3N3O3/c1-3-21(4-2)14(23)9-22-11-8-13-12(24-5-6-25-13)7-10(11)20-15(22)16(17,18)19/h7-8H,3-6,9H2,1-2H3

InChI Key

NMZDZEKSZLHDGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.621

Distribution Coefficient, logD

1.621

Water Solubility, LogSw

-1.69

Polar Surface Area

41.666

Acid Dissociation Constant (pKa)

18.43

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D622-0108 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D622-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D622-0108?
Check Price and Availability of D622-0108, 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 D622-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D622-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D622-0108
  • 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 D622-0108 available by request