D487-0013 Screening compound: N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pentanamide

D487-0013 Screening compound: N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pentanamide
D487-0013 Screening compound: N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0013
N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pentanamide

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

D487-0013

Molecular Formula

C16H17N3O3S (C16 H17 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCC(Nc1nc(-c(cc2)cc(N3)c2OCC3=O)cs1)=O

InChI

InChI=1S/C16H17N3O3S/c1-2-3-4-14(20)19-16-18-12(9-23-16)10-5-6-13-11(7-10)17-15(21)8-22-13/h5-7,9H,2-4,8H2,1H3,(H,17,21)(H,18,19,20)

InChI Key

AVKRAVKWVLUZPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.4

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

3.096

Distribution Coefficient, logD

3.096

Water Solubility, LogSw

-3.35

Polar Surface Area

66.433

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D487-0013 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 D487-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0013?
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What is the minimum amount of D487-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0013
  • 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 D487-0013 available by request