3886-0491 Screening compound: 5-{2-[(2-chlorophenyl)amino]-1,3-thiazol-4-yl}-5-methyl-3-(2-methylpropyl)oxolan-2-one

3886-0491 Screening compound: 5-{2-[(2-chlorophenyl)amino]-1,3-thiazol-4-yl}-5-methyl-3-(2-methylpropyl)oxolan-2-one
3886-0491 Screening compound: 5-{2-[(2-chlorophenyl)amino]-1,3-thiazol-4-yl}-5-methyl-3-(2-methylpropyl)oxolan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3886-0491
5-{2-[(2-chlorophenyl)amino]-1,3-thiazol-4-yl}-5-methyl-3-(2-methylpropyl)oxolan-2-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

3886-0491

Molecular Formula

C18H21ClN2O2S (C18 H21 ClN2 O2 S)

Compound Name

5-{2-[(2-chlorophenyl)amino]-1,3-thiazol-4-yl}-5-methyl-3-(2-methylpropyl)oxolan-2-one

IUPAC name

5-{2-[(2-chlorophenyl)amino]-13-thiazol-4-yl}-5-methyl-3-(2-methylpropyl)oxolan-2-one

SMILES

CC(C)CC(CC(C)(c1csc(Nc(cccc2)c2Cl)n1)O1)C1=O

InChI

InChI=1S/C18H21ClN2O2S/c1-11(2)8-12-9-18(3,23-16(12)22)15-10-24-17(21-15)20-14-7-5-4-6-13(14)19/h4-7,10-12H,8-9H2,1-3H3,(H,20,21)

InChI Key

YZIUAMHPYPJSNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01558600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.722

Distribution Coefficient, logD

5.722

Water Solubility, LogSw

-5.86

Polar Surface Area

38.987

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

3886-0491 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3886-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3886-0491?
Check Price and Availability of 3886-0491, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3886-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3886-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3886-0491
  • 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 3886-0491 available by request