1030-0097 Screening compound: 3-[(adamantan-1-yl)methyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one

1030-0097 Screening compound: 3-[(adamantan-1-yl)methyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
1030-0097 Screening compound: 3-[(adamantan-1-yl)methyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1030-0097
3-[(adamantan-1-yl)methyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one

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

1030-0097

Molecular Formula

C20H24N2O3S (C20 H24 N2 O3 S)

Compound Name

3-[(adamantan-1-yl)methyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one

IUPAC name

3-[(adamantan-1-yl)methyl]-2-(4-nitrophenyl)-13-thiazolidin-4-one

SMILES

[O-][N+](c1ccc(C(N2CC3(CC(C4)C5)CC5CC4C3)SCC2=O)cc1)=O

InChI

InChI=1S/C20H24N2O3S/c23-18-11-26-19(16-1-3-17(4-2-16)22(24)25)21(18)12-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15,19H,5-12H2/t13?,14?,15?,19-,20?/m0/s1

InChI Key

GMLDEBMJVPZXGL-RNJZWHOHSA-N

MDL Number (MFCD)

MFCD02208488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.942

Distribution Coefficient, logD

4.942

Water Solubility, LogSw

-4.93

Polar Surface Area

50.159

Acid Dissociation Constant (pKa)

17.16

Base Dissociation Constant (pKb)

-10.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

References: we are preparing a list of scientific research reports with 1030-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1030-0097?
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What is the minimum amount of 1030-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1030-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1030-0097
  • 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 1030-0097 available by request