D437-0555 Screening compound: N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide

D437-0555 Screening compound: N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
D437-0555 Screening compound: N-[4-(2-methyl-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 D437-0555
N-[4-(2-methyl-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

D437-0555

Molecular Formula

C19H21N3O3S (C19 H21 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC1Oc(ccc(-c2csc(NC(C3CCCCC3)=O)n2)c2)c2NC1=O

InChI

InChI=1S/C19H21N3O3S/c1-11-17(23)20-14-9-13(7-8-16(14)25-11)15-10-26-19(21-15)22-18(24)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,20,23)(H,21,22,24)/t11-/m1/s1

InChI Key

RGOFJRAQXDZAPR-LLVKDONJSA-N

MDL Number (MFCD)

MFCD09982388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.46

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

4.249

Distribution Coefficient, logD

4.249

Water Solubility, LogSw

-4.25

Polar Surface Area

65.905

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

D437-0555 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 D437-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D437-0555?
Check Price and Availability of D437-0555, 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 D437-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D437-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D437-0555
  • 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 D437-0555 available by request