D560-0148 Screening compound: 2-(2-methyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl)acetamide

D560-0148 Screening compound: 2-(2-methyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl)acetamide
D560-0148 Screening compound: 2-(2-methyl-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 D560-0148
2-(2-methyl-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

D560-0148

Molecular Formula

C12H13N3O3 (C12 H13 N3 O3)

Compound Name

2-(2-methyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl)acetamide

IUPAC name

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

SMILES

Cc1nc(cc2OCCOc2c2)c2n1CC(N)=O

InChI

InChI=1S/C12H13N3O3/c1-7-14-8-4-10-11(18-3-2-17-10)5-9(8)15(7)6-12(13)16/h4-5H,2-3,6H2,1H3,(H2,13,16)

InChI Key

YKILLFFWWXPAKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27592190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.533

Distribution Coefficient, logD

-1.033

Water Solubility, LogSw

-0.60

Polar Surface Area

60.427

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

7.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D560-0148 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D560-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D560-0148?
Check Price and Availability of D560-0148, 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 D560-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D560-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D560-0148
  • 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 D560-0148 available by request