D622-0120 Screening compound: N~1~-(1,2,3,4-tetrahydro-1-naphthalenyl)-2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl]acetamide

D622-0120 Screening compound: N~1~-(1,2,3,4-tetrahydro-1-naphthalenyl)-2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl]acetamide
D622-0120 Screening compound: N~1~-(1,2,3,4-tetrahydro-1-naphthalenyl)-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 D622-0120
N~1~-(1,2,3,4-tetrahydro-1-naphthalenyl)-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

D622-0120

Molecular Formula

C22H20F3N3O3 (C22 H20 F3 N3 O3)

Compound Name

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

IUPAC name

N-(1234-tetrahydronaphthalen-1-yl)-2-[5-(trifluoromethyl)-1013-dioxa-46-diazatricyclo[7.4.0.0^{37}]trideca-1(9)257-tetraen-4-yl]acetamide

SMILES

O=C(Cn1c(cc2OCCOc2c2)c2nc1C(F)(F)F)NC(CCC1)c2c1cccc2

InChI

InChI=1S/C22H20F3N3O3/c23-22(24,25)21-27-16-10-18-19(31-9-8-30-18)11-17(16)28(21)12-20(29)26-15-7-3-5-13-4-1-2-6-14(13)15/h1-2,4,6,10-11,15H,3,5,7-9,12H2,(H,26,29)/t15-/m0/s1

InChI Key

HGEWTEYDBKXLSA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27594914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.303

Distribution Coefficient, logD

3.303

Water Solubility, LogSw

-3.52

Polar Surface Area

50.306

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

D622-0120 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D622-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D622-0120?
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What is the minimum amount of D622-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D622-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D622-0120
  • 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 D622-0120 available by request