D437-0222 Screening compound: N-[5-methyl-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide

D437-0222 Screening compound: N-[5-methyl-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
D437-0222 Screening compound: N-[5-methyl-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D437-0222
N-[5-methyl-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide

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

D437-0222

Molecular Formula

C15H15N3O3S (C15 H15 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(Nc1nc(-c(cc2)cc(N3)c2OCC3=O)c(C)s1)=O

InChI

InChI=1S/C15H15N3O3S/c1-3-12(19)17-15-18-14(8(2)22-15)9-4-5-11-10(6-9)16-13(20)7-21-11/h4-6H,3,7H2,1-2H3,(H,16,20)(H,17,18,19)

InChI Key

NDFZPDJRRHFZPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10088327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.37

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

2.390

Distribution Coefficient, logD

2.390

Water Solubility, LogSw

-2.99

Polar Surface Area

67.203

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D437-0222 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 D437-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D437-0222?
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What is the minimum amount of D437-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D437-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D437-0222
  • 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 D437-0222 available by request