L367-0627 Screening compound: 4-[2-(benzylamino)pyrimidin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

L367-0627 Screening compound: 4-[2-(benzylamino)pyrimidin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
L367-0627 Screening compound: 4-[2-(benzylamino)pyrimidin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L367-0627
4-[2-(benzylamino)pyrimidin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

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

L367-0627

Molecular Formula

C26H22N4O3 (C26 H22 N4 O3)

Compound Name

4-[2-(benzylamino)pyrimidin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

IUPAC name

4-[2-(benzylamino)pyrimidin-5-yl]-N-(23-dihydro-14-benzodioxin-6-yl)benzamide

SMILES

O=C(c(cc1)ccc1-c1cnc(NCc2ccccc2)nc1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C26H22N4O3/c31-25(30-22-10-11-23-24(14-22)33-13-12-32-23)20-8-6-19(7-9-20)21-16-28-26(29-17-21)27-15-18-4-2-1-3-5-18/h1-11,14,16-17H,12-13,15H2,(H,30,31)(H,27,28,29)

InChI Key

GITOUMRVETXIJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.240

Distribution Coefficient, logD

3.238

Water Solubility, LogSw

-3.45

Polar Surface Area

69.865

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

L367-0627 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 L367-0627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L367-0627?
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What is the minimum amount of L367-0627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L367-0627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L367-0627
  • 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 L367-0627 available by request