D487-0164 Screening compound: 2-chloro-N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}benzamide

D487-0164 Screening compound: 2-chloro-N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}benzamide
D487-0164 Screening compound: 2-chloro-N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0164
2-chloro-N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-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

D487-0164

Molecular Formula

C22H18ClN3O3S (C22 H18 ClN3 O3 S)

Compound Name

2-chloro-N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}benzamide

IUPAC name

2-chloro-N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-34-dihydro-2H-14-benzoxazin-6-yl]-13-thiazol-2-yl}benzamide

SMILES

Cc1c(-c(cc2)cc(N3CC=C)c2OCC3=O)nc(NC(c(cccc2)c2Cl)=O)s1

InChI

InChI=1S/C22H18ClN3O3S/c1-3-10-26-17-11-14(8-9-18(17)29-12-19(26)27)20-13(2)30-22(24-20)25-21(28)15-6-4-5-7-16(15)23/h3-9,11H,1,10,12H2,2H3,(H,24,25,28)

InChI Key

KYRIYDZLXRBGPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.577

Distribution Coefficient, logD

4.516

Water Solubility, LogSw

-4.62

Polar Surface Area

57.955

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D487-0164 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D487-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0164?
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What is the minimum amount of D487-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0164
  • 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 D487-0164 available by request