6208-0017 Screening compound: 7-(4-tert-butylphenyl)-2-{[2-(4-methoxyphenyl)ethyl]amino}-5,6,7,8-tetrahydroquinazolin-5-one

6208-0017 Screening compound: 7-(4-tert-butylphenyl)-2-{[2-(4-methoxyphenyl)ethyl]amino}-5,6,7,8-tetrahydroquinazolin-5-one
6208-0017 Screening compound: 7-(4-tert-butylphenyl)-2-{[2-(4-methoxyphenyl)ethyl]amino}-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6208-0017
7-(4-tert-butylphenyl)-2-{[2-(4-methoxyphenyl)ethyl]amino}-5,6,7,8-tetrahydroquinazolin-5-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

6208-0017

Molecular Formula

C27H31N3O2 (C27 H31 N3 O2)

Compound Name

7-(4-tert-butylphenyl)-2-{[2-(4-methoxyphenyl)ethyl]amino}-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

7-(4-tert-butylphenyl)-2-{[2-(4-methoxyphenyl)ethyl]amino}-5678-tetrahydroquinazolin-5-one

SMILES

CC(C)(C)c1ccc(C(Cc2c3cnc(NCCc(cc4)ccc4OC)n2)CC3=O)cc1

InChI

InChI=1S/C27H31N3O2/c1-27(2,3)21-9-7-19(8-10-21)20-15-24-23(25(31)16-20)17-29-26(30-24)28-14-13-18-5-11-22(32-4)12-6-18/h5-12,17,20H,13-16H2,1-4H3,(H,28,29,30)/t20-/m1/s1

InChI Key

QLLXNQXHEKCDFP-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD03759784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.795

Distribution Coefficient, logD

5.795

Water Solubility, LogSw

-5.37

Polar Surface Area

52.483

Acid Dissociation Constant (pKa)

16.51

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

6208-0017 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6208-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6208-0017?
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What is the minimum amount of 6208-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6208-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6208-0017
  • 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 6208-0017 available by request