D487-0213 Screening compound: 3-bromo-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide

D487-0213 Screening compound: 3-bromo-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
D487-0213 Screening compound: 3-bromo-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0213
3-bromo-N-[4-(3-oxo-4-propyl-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

D487-0213

Molecular Formula

C21H18BrN3O3S (C21 H18 BrN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN1c(cc(cc2)-c3csc(NC(c4cccc(Br)c4)=O)n3)c2OCC1=O

InChI

InChI=1S/C21H18BrN3O3S/c1-2-8-25-17-10-13(6-7-18(17)28-11-19(25)26)16-12-29-21(23-16)24-20(27)14-4-3-5-15(22)9-14/h3-7,9-10,12H,2,8,11H2,1H3,(H,23,24,27)

InChI Key

WGCRZFZZUXKORF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.36

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

5.084

Distribution Coefficient, logD

5.079

Water Solubility, LogSw

-4.95

Polar Surface Area

57.184

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D487-0213 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D487-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0213?
Check Price and Availability of D487-0213, 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 D487-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0213
  • 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 D487-0213 available by request