1682-7461 Screening compound: 3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide

1682-7461 Screening compound: 3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
1682-7461 Screening compound: 3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-7461
3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-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

1682-7461

Molecular Formula

C14H18N2O3S (C14 H18 N2 O3 S)

Compound Name

3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide

IUPAC name

3-formyl-N-(4-methoxyphenyl)-22-dimethyl-13-thiazolidine-4-carboxamide

SMILES

CC1(C)SCC(C(Nc(cc2)ccc2OC)=O)N1C=O

InChI

InChI=1S/C14H18N2O3S/c1-14(2)16(9-17)12(8-20-14)13(18)15-10-4-6-11(19-3)7-5-10/h4-7,9,12H,8H2,1-3H3,(H,15,18)/t12-/m1/s1

InChI Key

UCFXLVSDEWKUNL-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD00411974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.920

Distribution Coefficient, logD

1.920

Water Solubility, LogSw

-2.60

Polar Surface Area

47.700

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

1682-7461 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1682-7461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-7461?
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What is the minimum amount of 1682-7461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-7461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-7461
  • 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 1682-7461 available by request