Y042-6122 Screening compound: N~1~-(3-isopropyl-4-oxo-3,4-dihydro-6-quinazolinyl)-4-[4-oxo-3(4H)-quinazolinyl]butanamide

Y042-6122 Screening compound: N~1~-(3-isopropyl-4-oxo-3,4-dihydro-6-quinazolinyl)-4-[4-oxo-3(4H)-quinazolinyl]butanamide
Y042-6122 Screening compound: N~1~-(3-isopropyl-4-oxo-3,4-dihydro-6-quinazolinyl)-4-[4-oxo-3(4H)-quinazolinyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-6122
N~1~-(3-isopropyl-4-oxo-3,4-dihydro-6-quinazolinyl)-4-[4-oxo-3(4H)-quinazolinyl]butanamide

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

Y042-6122

Molecular Formula

C23H23N5O3 (C23 H23 N5 O3)

Compound Name

N~1~-(3-isopropyl-4-oxo-3,4-dihydro-6-quinazolinyl)-4-[4-oxo-3(4H)-quinazolinyl]butanamide

IUPAC name

4-(4-oxo-34-dihydroquinazolin-3-yl)-N-[4-oxo-3-(propan-2-yl)-34-dihydroquinazolin-6-yl]butanamide

SMILES

CC(C)N(C=Nc(cc1)c2cc1NC(CCCN(C=Nc1c3cccc1)C3=O)=O)C2=O

InChI

InChI=1S/C23H23N5O3/c1-15(2)28-14-25-20-10-9-16(12-18(20)23(28)31)26-21(29)8-5-11-27-13-24-19-7-4-3-6-17(19)22(27)30/h3-4,6-7,9-10,12-15H,5,8,11H2,1-2H3,(H,26,29)

InChI Key

YFVFFZRXEDLBQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28028143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.845

Distribution Coefficient, logD

0.845

Water Solubility, LogSw

-2.44

Polar Surface Area

75.725

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.09

Y042-6122 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 Y042-6122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-6122?
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What is the minimum amount of Y042-6122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-6122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-6122
  • 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 Y042-6122 available by request