D560-0101 Screening compound: N~1~-(2-chloro-6-fluorobenzyl)-2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl)acetamide

D560-0101 Screening compound: N~1~-(2-chloro-6-fluorobenzyl)-2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl)acetamide
D560-0101 Screening compound: N~1~-(2-chloro-6-fluorobenzyl)-2-(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 D560-0101
N~1~-(2-chloro-6-fluorobenzyl)-2-(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

D560-0101

Molecular Formula

C18H15ClFN3O3 (C18 H15 ClFN3 O3)

Compound Name

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

IUPAC name

N-[(2-chloro-6-fluorophenyl)methyl]-2-{1013-dioxa-46-diazatricyclo[7.4.0.0^{37}]trideca-1(9)257-tetraen-4-yl}acetamide

SMILES

O=C(Cn1c(cc2OCCOc2c2)c2nc1)NCc(c(F)ccc1)c1Cl

InChI

InChI=1S/C18H15ClFN3O3/c19-12-2-1-3-13(20)11(12)8-21-18(24)9-23-10-22-14-6-16-17(7-15(14)23)26-5-4-25-16/h1-3,6-7,10H,4-5,8-9H2,(H,21,24)

InChI Key

MSCYVUFBZBIGTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27592164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.79

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

1.770

Distribution Coefficient, logD

1.142

Water Solubility, LogSw

-2.71

Polar Surface Area

50.718

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

7.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with D560-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D560-0101?
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What is the minimum amount of D560-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D560-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D560-0101
  • 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 D560-0101 available by request