Y042-9970 Screening compound: 3-{3-[4-(4-fluorophenyl)piperazino]-3-oxopropyl}-6,7-dimethoxy-4(3H)-quinazolinone

Y042-9970 Screening compound: 3-{3-[4-(4-fluorophenyl)piperazino]-3-oxopropyl}-6,7-dimethoxy-4(3H)-quinazolinone
Y042-9970 Screening compound: 3-{3-[4-(4-fluorophenyl)piperazino]-3-oxopropyl}-6,7-dimethoxy-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-9970
3-{3-[4-(4-fluorophenyl)piperazino]-3-oxopropyl}-6,7-dimethoxy-4(3H)-quinazolinone

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

Y042-9970

Molecular Formula

C23H25FN4O4 (C23 H25 FN4 O4)

Compound Name

3-{3-[4-(4-fluorophenyl)piperazino]-3-oxopropyl}-6,7-dimethoxy-4(3H)-quinazolinone

IUPAC name

3-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-67-dimethoxy-34-dihydroquinazolin-4-one

SMILES

COc(c(OC)c1)cc2c1N=CN(CCC(N(CC1)CCN1c(cc1)ccc1F)=O)C2=O

InChI

InChI=1S/C23H25FN4O4/c1-31-20-13-18-19(14-21(20)32-2)25-15-28(23(18)30)8-7-22(29)27-11-9-26(10-12-27)17-5-3-16(24)4-6-17/h3-6,13-15H,7-12H2,1-2H3

InChI Key

RKWOKOPHPFELPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12211080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.925

Distribution Coefficient, logD

1.925

Water Solubility, LogSw

-2.56

Polar Surface Area

61.231

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

Y042-9970 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 Y042-9970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-9970?
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What is the minimum amount of Y042-9970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-9970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-9970
  • 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 Y042-9970 available by request