V028-3852 Screening compound: 3-{1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-N-[(oxolan-2-yl)methyl]formamido}-N-cyclopropylpropanamide

V028-3852 Screening compound: 3-{1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-N-[(oxolan-2-yl)methyl]formamido}-N-cyclopropylpropanamide
V028-3852 Screening compound: 3-{1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-N-[(oxolan-2-yl)methyl]formamido}-N-cyclopropylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-3852
3-{1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-N-[(oxolan-2-yl)methyl]formamido}-N-cyclopropylpropanamide

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

V028-3852

Molecular Formula

C21H24ClN3O4 (C21 H24 ClN3 O4)

Compound Name

3-{1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-N-[(oxolan-2-yl)methyl]formamido}-N-cyclopropylpropanamide

IUPAC name

3-{1-[5-(3-chlorophenyl)-12-oxazol-3-yl]-N-[(oxolan-2-yl)methyl]formamido}-N-cyclopropylpropanamide

SMILES

O=C(CCN(CC1OCCC1)C(c1noc(-c2cccc(Cl)c2)c1)=O)NC1CC1

InChI

InChI=1S/C21H24ClN3O4/c22-15-4-1-3-14(11-15)19-12-18(24-29-19)21(27)25(13-17-5-2-10-28-17)9-8-20(26)23-16-6-7-16/h1,3-4,11-12,16-17H,2,5-10,13H2,(H,23,26)/t17-/m1/s1

InChI Key

IFQWKGQNKBNEDL-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD19811143

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

417.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.697

Distribution Coefficient, logD

2.697

Water Solubility, LogSw

-3.59

Polar Surface Area

70.874

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

V028-3852 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-3852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-3852?
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What is the minimum amount of V028-3852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-3852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-3852
  • 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 V028-3852 available by request