8137-0129 Screening compound: 2-[(4,8-dimethylquinazolin-2-yl)amino]-7-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-5-one

8137-0129 Screening compound: 2-[(4,8-dimethylquinazolin-2-yl)amino]-7-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-5-one
8137-0129 Screening compound: 2-[(4,8-dimethylquinazolin-2-yl)amino]-7-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8137-0129
2-[(4,8-dimethylquinazolin-2-yl)amino]-7-(4-fluorophenyl)-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

8137-0129

Molecular Formula

C24H20FN5O (C24 H20 FN5 O)

Compound Name

2-[(4,8-dimethylquinazolin-2-yl)amino]-7-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

2-[(48-dimethylquinazolin-2-yl)amino]-7-(4-fluorophenyl)-5678-tetrahydroquinazolin-5-one

SMILES

Cc1c2nc(Nc(nc3)nc(CC(C4)c(cc5)ccc5F)c3C4=O)nc(C)c2ccc1

InChI

InChI=1S/C24H20FN5O/c1-13-4-3-5-18-14(2)27-24(29-22(13)18)30-23-26-12-19-20(28-23)10-16(11-21(19)31)15-6-8-17(25)9-7-15/h3-9,12,16H,10-11H2,1-2H3,(H,26,27,28,29,30)/t16-/m0/s1

InChI Key

JMYMSKHUILEJJA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD05694180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.154

Distribution Coefficient, logD

4.636

Water Solubility, LogSw

-5.12

Polar Surface Area

64.543

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

8137-0129 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 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 8137-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8137-0129?
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What is the minimum amount of 8137-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8137-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8137-0129
  • 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 8137-0129 available by request