4334-0856 Screening compound: N-(5-nitro-1,3-thiazol-2-yl)-1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide

4334-0856 Screening compound: N-(5-nitro-1,3-thiazol-2-yl)-1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
4334-0856 Screening compound: N-(5-nitro-1,3-thiazol-2-yl)-1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4334-0856
N-(5-nitro-1,3-thiazol-2-yl)-1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide

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

4334-0856

Molecular Formula

C17H14N4O6S (C17 H14 N4 O6 S)

Compound Name

N-(5-nitro-1,3-thiazol-2-yl)-1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide

IUPAC name

N-(5-nitro-13-thiazol-2-yl)-13-dioxo-2-[(oxolan-2-yl)methyl]-23-dihydro-1H-isoindole-5-carboxamide

SMILES

[O-][N+](c1cnc(NC(c(cc2)cc(C(N3CC4OCCC4)=O)c2C3=O)=O)s1)=O

InChI

InChI=1S/C17H14N4O6S/c22-14(19-17-18-7-13(28-17)21(25)26)9-3-4-11-12(6-9)16(24)20(15(11)23)8-10-2-1-5-27-10/h3-4,6-7,10H,1-2,5,8H2,(H,18,19,22)/t10-/m1/s1

InChI Key

QWVLTYHZGVVMPD-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD02032192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.39

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.380

Distribution Coefficient, logD

-0.926

Water Solubility, LogSw

-2.98

Polar Surface Area

105.538

Acid Dissociation Constant (pKa)

4.09

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 4334-0856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4334-0856?
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What is the minimum amount of 4334-0856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4334-0856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4334-0856
  • 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 4334-0856 available by request