D437-0558 Screening compound: N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide

D437-0558 Screening compound: N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
D437-0558 Screening compound: N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D437-0558
N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide

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

D437-0558

Molecular Formula

C21H19N3O3S (C21 H19 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]-3-phenylpropanamide

IUPAC name

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

SMILES

CC1Oc(ccc(-c2csc(NC(CCc3ccccc3)=O)n2)c2)c2NC1=O

InChI

InChI=1S/C21H19N3O3S/c1-13-20(26)22-16-11-15(8-9-18(16)27-13)17-12-28-21(23-17)24-19(25)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-13H,7,10H2,1H3,(H,22,26)(H,23,24,25)/t13-/m1/s1

InChI Key

SVHCYUHEPABKQW-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD09982389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.344

Distribution Coefficient, logD

4.344

Water Solubility, LogSw

-4.37

Polar Surface Area

65.500

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

D437-0558 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D437-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D437-0558?
Check Price and Availability of D437-0558, 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 D437-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D437-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D437-0558
  • 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 D437-0558 available by request