4606-0899 Screening compound: N-[2-(butan-2-yl)phenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

4606-0899 Screening compound: N-[2-(butan-2-yl)phenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
4606-0899 Screening compound: N-[2-(butan-2-yl)phenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4606-0899
N-[2-(butan-2-yl)phenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-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

4606-0899

Molecular Formula

C21H21ClN2O2 (C21 H21 ClN2 O2)

Compound Name

N-[2-(butan-2-yl)phenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

IUPAC name

N-[2-(butan-2-yl)phenyl]-3-(2-chlorophenyl)-5-methyl-12-oxazole-4-carboxamide

SMILES

CCC(C)c(cccc1)c1NC(c1c(C)onc1-c(cccc1)c1Cl)=O

InChI

InChI=1S/C21H21ClN2O2/c1-4-13(2)15-9-6-8-12-18(15)23-21(25)19-14(3)26-24-20(19)16-10-5-7-11-17(16)22/h5-13H,4H2,1-3H3,(H,23,25)/t13-/m0/s1

InChI Key

JYQMDNNOGBVOCI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03348106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.154

Distribution Coefficient, logD

5.154

Water Solubility, LogSw

-5.57

Polar Surface Area

44.592

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

4606-0899 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4606-0899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4606-0899?
Check Price and Availability of 4606-0899, 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 4606-0899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4606-0899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4606-0899
  • 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 4606-0899 available by request