D622-0068 Screening compound: N~1~-(4-methylphenyl)-2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl]acetamide

D622-0068 Screening compound: N~1~-(4-methylphenyl)-2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl]acetamide
D622-0068 Screening compound: N~1~-(4-methylphenyl)-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 D622-0068
N~1~-(4-methylphenyl)-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

D622-0068

Molecular Formula

C19H16F3N3O3 (C19 H16 F3 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(Cn1c(cc2OCCOc2c2)c2nc1C(F)(F)F)=O

InChI

InChI=1S/C19H16F3N3O3/c1-11-2-4-12(5-3-11)23-17(26)10-25-14-9-16-15(27-6-7-28-16)8-13(14)24-18(25)19(20,21)22/h2-5,8-9H,6-7,10H2,1H3,(H,23,26)

InChI Key

YZYWMMOPOYZAPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.35

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

3.194

Distribution Coefficient, logD

3.194

Water Solubility, LogSw

-3.29

Polar Surface Area

49.140

Acid Dissociation Constant (pKa)

12.10

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with D622-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D622-0068?
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What is the minimum amount of D622-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D622-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D622-0068
  • 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 D622-0068 available by request