C637-0087 Screening compound: 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-fluorophenyl)methyl]butanamide

C637-0087 Screening compound: 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-fluorophenyl)methyl]butanamide
C637-0087 Screening compound: 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-fluorophenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C637-0087
4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-fluorophenyl)methyl]butanamide

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

C637-0087

Molecular Formula

C22H23FN2O3 (C22 H23 FN2 O3)

Compound Name

4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-fluorophenyl)methyl]butanamide

IUPAC name

4-[5-(4-ethoxyphenyl)-12-oxazol-3-yl]-N-[(4-fluorophenyl)methyl]butanamide

SMILES

CCOc(cc1)ccc1-c1cc(CCCC(NCc(cc2)ccc2F)=O)no1

InChI

InChI=1S/C22H23FN2O3/c1-2-27-20-12-8-17(9-13-20)21-14-19(25-28-21)4-3-5-22(26)24-15-16-6-10-18(23)11-7-16/h6-14H,2-5,15H2,1H3,(H,24,26)

InChI Key

IMWVKVYVCUFMRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.200

Distribution Coefficient, logD

4.200

Water Solubility, LogSw

-4.16

Polar Surface Area

53.592

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C637-0087 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 C637-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C637-0087?
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What is the minimum amount of C637-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C637-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C637-0087
  • 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 C637-0087 available by request