D437-0053 Screening compound: 3,4,5-triethoxy-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide

D437-0053 Screening compound: 3,4,5-triethoxy-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
D437-0053 Screening compound: 3,4,5-triethoxy-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D437-0053
3,4,5-triethoxy-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide

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

D437-0053

Molecular Formula

C24H25N3O6S (C24 H25 N3 O6 S)

Compound Name

3,4,5-triethoxy-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide

IUPAC name

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

SMILES

CCOc1cc(C(Nc2nc(-c(cc3)cc(N4)c3OCC4=O)cs2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C24H25N3O6S/c1-4-30-19-10-15(11-20(31-5-2)22(19)32-6-3)23(29)27-24-26-17(13-34-24)14-7-8-18-16(9-14)25-21(28)12-33-18/h7-11,13H,4-6,12H2,1-3H3,(H,25,28)(H,26,27,29)

InChI Key

KLMDURAZRPHNLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10088299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.247

Distribution Coefficient, logD

4.247

Water Solubility, LogSw

-4.28

Polar Surface Area

88.092

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D437-0053 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D437-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D437-0053?
Check Price and Availability of D437-0053, 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 D437-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D437-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D437-0053
  • 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 D437-0053 available by request