C759-0186 Screening compound: N-{3-[bis(2-methylpropyl)amino]propyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide

C759-0186 Screening compound: N-{3-[bis(2-methylpropyl)amino]propyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide
C759-0186 Screening compound: N-{3-[bis(2-methylpropyl)amino]propyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C759-0186
N-{3-[bis(2-methylpropyl)amino]propyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-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

C759-0186

Molecular Formula

C21H33N3O3 (C21 H33 N3 O3)

Compound Name

N-{3-[bis(2-methylpropyl)amino]propyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide

IUPAC name

N-{3-[bis(2-methylpropyl)amino]propyl}-2-(3-oxo-34-dihydro-2H-14-benzoxazin-2-yl)acetamide

SMILES

CC(C)CN(CCCNC(CC1Oc(cccc2)c2NC1=O)=O)CC(C)C

InChI

InChI=1S/C21H33N3O3/c1-15(2)13-24(14-16(3)4)11-7-10-22-20(25)12-19-21(26)23-17-8-5-6-9-18(17)27-19/h5-6,8-9,15-16,19H,7,10-14H2,1-4H3,(H,22,25)(H,23,26)/t19-/m0/s1

InChI Key

DOISNMPHJBOONK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14791764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.876

Distribution Coefficient, logD

0.023

Water Solubility, LogSw

-3.32

Polar Surface Area

61.316

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

10.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

C759-0186 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Annotated Library (688 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C759-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C759-0186?
Check Price and Availability of C759-0186, 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 C759-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C759-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C759-0186
  • 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 C759-0186 available by request