8019-3458 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)pentanamide

8019-3458 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)pentanamide
8019-3458 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3458
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-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

8019-3458

Molecular Formula

C16H18N4O3S (C16 H18 N4 O3 S)

Compound Name

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)pentanamide

IUPAC name

N-(5-methyl-134-thiadiazol-2-yl)-2-(3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)pentanamide

SMILES

CCCC(C(Nc1nnc(C)s1)=O)N1c(cccc2)c2OCC1=O

InChI

InChI=1S/C16H18N4O3S/c1-3-6-12(15(22)17-16-19-18-10(2)24-16)20-11-7-4-5-8-13(11)23-9-14(20)21/h4-5,7-8,12H,3,6,9H2,1-2H3,(H,17,19,22)/t12-/m0/s1

InChI Key

QYZJIINZEACFFG-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.078

Distribution Coefficient, logD

1.858

Water Solubility, LogSw

-2.63

Polar Surface Area

69.708

Acid Dissociation Constant (pKa)

7.58

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

8019-3458 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-3458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3458?
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What is the minimum amount of 8019-3458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3458
  • 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 8019-3458 available by request