3338-1180 Screening compound: 4-(benzylamino)-1-(2,5-diphenyl-1,3-oxazol-4-yl)-1,2-dihydropyrimidin-2-one

3338-1180 Screening compound: 4-(benzylamino)-1-(2,5-diphenyl-1,3-oxazol-4-yl)-1,2-dihydropyrimidin-2-one
3338-1180 Screening compound: 4-(benzylamino)-1-(2,5-diphenyl-1,3-oxazol-4-yl)-1,2-dihydropyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3338-1180
4-(benzylamino)-1-(2,5-diphenyl-1,3-oxazol-4-yl)-1,2-dihydropyrimidin-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

3338-1180

Molecular Formula

C26H20N4O2 (C26 H20 N4 O2)

Compound Name

4-(benzylamino)-1-(2,5-diphenyl-1,3-oxazol-4-yl)-1,2-dihydropyrimidin-2-one

IUPAC name

4-(benzylamino)-1-(25-diphenyl-13-oxazol-4-yl)-12-dihydropyrimidin-2-one

SMILES

O=C(N(C=C1)c2c(-c3ccccc3)oc(-c3ccccc3)n2)N=C1NCc1ccccc1

InChI

InChI=1S/C26H20N4O2/c31-26-28-22(27-18-19-10-4-1-5-11-19)16-17-30(26)24-23(20-12-6-2-7-13-20)32-25(29-24)21-14-8-3-9-15-21/h1-17H,18H2,(H,27,28,31)

InChI Key

UZFBUOPLGXBRPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01912594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.158

Distribution Coefficient, logD

4.392

Water Solubility, LogSw

-5.44

Polar Surface Area

52.851

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

8.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

3338-1180 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 3338-1180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3338-1180?
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What is the minimum amount of 3338-1180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3338-1180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3338-1180
  • 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 3338-1180 available by request