D437-0561 Screening compound: 2-(4-chlorophenoxy)-N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]acetamide

D437-0561 Screening compound: 2-(4-chlorophenoxy)-N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]acetamide
D437-0561 Screening compound: 2-(4-chlorophenoxy)-N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D437-0561
2-(4-chlorophenoxy)-N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]acetamide

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

D437-0561

Molecular Formula

C20H16ClN3O4S (C20 H16 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC1Oc(ccc(-c2csc(NC(COc(cc3)ccc3Cl)=O)n2)c2)c2NC1=O

InChI

InChI=1S/C20H16ClN3O4S/c1-11-19(26)22-15-8-12(2-7-17(15)28-11)16-10-29-20(23-16)24-18(25)9-27-14-5-3-13(21)4-6-14/h2-8,10-11H,9H2,1H3,(H,22,26)(H,23,24,25)/t11-/m1/s1

InChI Key

HRHORLXCHCSJSK-LLVKDONJSA-N

MDL Number (MFCD)

MFCD09057625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.597

Distribution Coefficient, logD

4.597

Water Solubility, LogSw

-4.76

Polar Surface Area

72.999

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

D437-0561 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D437-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D437-0561?
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What is the minimum amount of D437-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D437-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D437-0561
  • 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 D437-0561 available by request