D437-0016 Screening compound: N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide

D437-0016 Screening compound: N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
D437-0016 Screening compound: N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D437-0016
N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide

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

D437-0016

Molecular Formula

C18H19N3O3S (C18 H19 N3 O3 S)

Compound Name

N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide

IUPAC name

N-[4-(3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)-13-thiazol-2-yl]cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)Nc1nc(-c(cc2)cc(N3)c2OCC3=O)cs1

InChI

InChI=1S/C18H19N3O3S/c22-16-9-24-15-7-6-12(8-13(15)19-16)14-10-25-18(20-14)21-17(23)11-4-2-1-3-5-11/h6-8,10-11H,1-5,9H2,(H,19,22)(H,20,21,23)

InChI Key

JGGDYFLMZRVJDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10088288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.690

Distribution Coefficient, logD

3.690

Water Solubility, LogSw

-3.97

Polar Surface Area

66.567

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

D437-0016 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D437-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D437-0016?
Check Price and Availability of D437-0016, 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 D437-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D437-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D437-0016
  • 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 D437-0016 available by request