D622-0073 Screening compound: N~1~-(3,4-dimethylphenyl)-2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl]acetamide

D622-0073 Screening compound: N~1~-(3,4-dimethylphenyl)-2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl]acetamide
D622-0073 Screening compound: N~1~-(3,4-dimethylphenyl)-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 D622-0073
N~1~-(3,4-dimethylphenyl)-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

D622-0073

Molecular Formula

C20H18F3N3O3 (C20 H18 F3 N3 O3)

Compound Name

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

IUPAC name

N-(34-dimethylphenyl)-2-[5-(trifluoromethyl)-1013-dioxa-46-diazatricyclo[7.4.0.0^{37}]trideca-1(9)257-tetraen-4-yl]acetamide

SMILES

Cc(cc1)c(C)cc1NC(Cn1c(cc2OCCOc2c2)c2nc1C(F)(F)F)=O

InChI

InChI=1S/C20H18F3N3O3/c1-11-3-4-13(7-12(11)2)24-18(27)10-26-15-9-17-16(28-5-6-29-17)8-14(15)25-19(26)20(21,22)23/h3-4,7-9H,5-6,10H2,1-2H3,(H,24,27)

InChI Key

KSTDNTMWCRHIKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.38

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

3.758

Distribution Coefficient, logD

3.758

Water Solubility, LogSw

-3.90

Polar Surface Area

49.140

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with D622-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D622-0073?
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What is the minimum amount of D622-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D622-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D622-0073
  • 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 D622-0073 available by request