F082-0919 Screening compound: 3-(5-bromothiophen-2-yl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide

F082-0919 Screening compound: 3-(5-bromothiophen-2-yl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
F082-0919 Screening compound: 3-(5-bromothiophen-2-yl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F082-0919
3-(5-bromothiophen-2-yl)-5-methyl-N-[4-(propan-2-yl)phenyl]-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

F082-0919

Molecular Formula

C18H17BrN2O2S (C18 H17 BrN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1NC(c1c(C)onc1-c(s1)ccc1Br)=O

InChI

InChI=1S/C18H17BrN2O2S/c1-10(2)12-4-6-13(7-5-12)20-18(22)16-11(3)23-21-17(16)14-8-9-15(19)24-14/h4-10H,1-3H3,(H,20,22)

InChI Key

VJRTVQGYPSACCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27100273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.32

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

5.558

Distribution Coefficient, logD

5.558

Water Solubility, LogSw

-5.58

Polar Surface Area

46.308

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

F082-0919 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F082-0919 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F082-0919?
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What is the minimum amount of F082-0919 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F082-0919
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F082-0919
  • 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 F082-0919 available by request