4732-0134 Screening compound: 4-(ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}hexanoic acid

4732-0134 Screening compound: 4-(ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}hexanoic acid
4732-0134 Screening compound: 4-(ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4732-0134
4-(ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}hexanoic acid

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

4732-0134

Molecular Formula

C19H24N2O4S (C19 H24 N2 O4 S)

Compound Name

4-(ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}hexanoic acid

IUPAC name

4-(ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-13-thiazol-4-yl}hexanoic acid

SMILES

CCC(CCC(O)=O)(C(OCC)=O)c1csc(Nc2ccc(C)cc2)n1

InChI

InChI=1S/C19H24N2O4S/c1-4-19(11-10-16(22)23,17(24)25-5-2)15-12-26-18(21-15)20-14-8-6-13(3)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,21)(H,22,23)/t19-/m1/s1

InChI Key

JKTARFLEFLYTKQ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD00364153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.877

Distribution Coefficient, logD

1.925

Water Solubility, LogSw

-4.31

Polar Surface Area

68.335

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

4732-0134 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4732-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4732-0134?
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What is the minimum amount of 4732-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4732-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4732-0134
  • 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 4732-0134 available by request