8341-0113 Screening compound: 2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-7-phenyl-5,6,7,8-tetrahydroquinazolin-5-one

8341-0113 Screening compound: 2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-7-phenyl-5,6,7,8-tetrahydroquinazolin-5-one
8341-0113 Screening compound: 2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-7-phenyl-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8341-0113
2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-7-phenyl-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

8341-0113

Molecular Formula

C28H20ClN5O (C28 H20 ClN5 O)

Compound Name

2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-7-phenyl-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-7-phenyl-5678-tetrahydroquinazolin-5-one

SMILES

O=C(CC(C1)c2ccccc2)c2c1nc(Nc1nc(-c3ccccc3)c(cc(cc3)Cl)c3n1)nc2

InChI

InChI=1S/C28H20ClN5O/c29-20-11-12-23-21(15-20)26(18-9-5-2-6-10-18)33-28(31-23)34-27-30-16-22-24(32-27)13-19(14-25(22)35)17-7-3-1-4-8-17/h1-12,15-16,19H,13-14H2,(H,30,31,32,33,34)/t19-/m1/s1

InChI Key

ZPDSSYWRIVKGJA-LJQANCHMSA-N

MDL Number (MFCD)

MFCD05701697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.773

Distribution Coefficient, logD

6.592

Water Solubility, LogSw

-6.46

Polar Surface Area

63.695

Acid Dissociation Constant (pKa)

15.60

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.70

8341-0113 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8341-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8341-0113?
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What is the minimum amount of 8341-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8341-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8341-0113
  • 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 8341-0113 available by request