8451-07190 Screening compound: 7-(4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one

8451-07190 Screening compound: 7-(4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one
8451-07190 Screening compound: 7-(4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8451-07190
7-(4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-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

8451-07190

Molecular Formula

C23H20ClN3O (C23 H20 ClN3 O)

Compound Name

7-(4-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

7-(4-chlorophenyl)-2-(1234-tetrahydroisoquinolin-2-yl)-5678-tetrahydroquinazolin-5-one

SMILES

O=C(CC(C1)c(cc2)ccc2Cl)c2c1nc(N(CC1)Cc3c1cccc3)nc2

InChI

InChI=1S/C23H20ClN3O/c24-19-7-5-16(6-8-19)18-11-21-20(22(28)12-18)13-25-23(26-21)27-10-9-15-3-1-2-4-17(15)14-27/h1-8,13,18H,9-12,14H2/t18-/m0/s1

InChI Key

DGFCWKWYUBYITF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD04165473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.016

Distribution Coefficient, logD

5.016

Water Solubility, LogSw

-5.30

Polar Surface Area

35.770

Acid Dissociation Constant (pKa)

16.67

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

8451-07190 in Drug Discovery

Included in Screening Libraries

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 8451-07190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8451-07190?
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What is the minimum amount of 8451-07190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8451-07190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8451-07190
  • 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 8451-07190 available by request