D437-0229 Screening compound: N-[5-methyl-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide

D437-0229 Screening compound: N-[5-methyl-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
D437-0229 Screening compound: N-[5-methyl-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D437-0229
N-[5-methyl-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide

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

D437-0229

Molecular Formula

C17H17N3O4S (C17 H17 N3 O4 S)

Compound Name

N-[5-methyl-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide

IUPAC name

N-[5-methyl-4-(3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)-13-thiazol-2-yl]oxolane-2-carboxamide

SMILES

Cc1c(-c(cc2)cc(N3)c2OCC3=O)nc(NC(C2OCCC2)=O)s1

InChI

InChI=1S/C17H17N3O4S/c1-9-15(10-4-5-12-11(7-10)18-14(21)8-24-12)19-17(25-9)20-16(22)13-3-2-6-23-13/h4-5,7,13H,2-3,6,8H2,1H3,(H,18,21)(H,19,20,22)/t13-/m0/s1

InChI Key

LBOLQDBWJPJPHI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD10088331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.183

Distribution Coefficient, logD

2.183

Water Solubility, LogSw

-2.85

Polar Surface Area

75.557

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

D437-0229 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

KRAS-Targeted Library (16000 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D437-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D437-0229?
Check Price and Availability of D437-0229, 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 D437-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D437-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D437-0229
  • 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 D437-0229 available by request