L367-0622 Screening compound: 4-[2-(benzylamino)pyrimidin-5-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide

L367-0622 Screening compound: 4-[2-(benzylamino)pyrimidin-5-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide
L367-0622 Screening compound: 4-[2-(benzylamino)pyrimidin-5-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L367-0622
4-[2-(benzylamino)pyrimidin-5-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]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

L367-0622

Molecular Formula

C26H28N4O (C26 H28 N4 O)

Compound Name

4-[2-(benzylamino)pyrimidin-5-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide

IUPAC name

4-[2-(benzylamino)pyrimidin-5-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide

SMILES

O=C(c(cc1)ccc1-c1cnc(NCc2ccccc2)nc1)NCCC1=CCCCC1

InChI

InChI=1S/C26H28N4O/c31-25(27-16-15-20-7-3-1-4-8-20)23-13-11-22(12-14-23)24-18-29-26(30-19-24)28-17-21-9-5-2-6-10-21/h2,5-7,9-14,18-19H,1,3-4,8,15-17H2,(H,27,31)(H,28,29,30)

InChI Key

KKOIIJXVJYTORU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.237

Distribution Coefficient, logD

4.237

Water Solubility, LogSw

-4.36

Polar Surface Area

55.397

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

L367-0622 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 L367-0622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L367-0622?
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What is the minimum amount of L367-0622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L367-0622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L367-0622
  • 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 L367-0622 available by request