8019-1542 Screening compound: 1-benzyl-6-cyclopentyl-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

8019-1542 Screening compound: 1-benzyl-6-cyclopentyl-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
8019-1542 Screening compound: 1-benzyl-6-cyclopentyl-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1542
1-benzyl-6-cyclopentyl-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

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

8019-1542

Molecular Formula

C18H22N4O2 (C18 H22 N4 O2)

Compound Name

1-benzyl-6-cyclopentyl-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

IUPAC name

1-benzyl-6-cyclopentyl-1H2H3H4H5H6H7H8H-[13]diazino[45-d]pyrimidine-24-dione

SMILES

O=C(C(CN(CN1)C2CCCC2)=C1N1Cc2ccccc2)NC1=O

InChI

InChI=1S/C18H22N4O2/c23-17-15-11-21(14-8-4-5-9-14)12-19-16(15)22(18(24)20-17)10-13-6-2-1-3-7-13/h1-3,6-7,14,19H,4-5,8-12H2,(H,20,23,24)

InChI Key

BQJHYQWUJDWFFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07638166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.398

Distribution Coefficient, logD

2.103

Water Solubility, LogSw

-2.78

Polar Surface Area

54.002

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

8019-1542 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 8019-1542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1542?
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What is the minimum amount of 8019-1542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1542
  • 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 8019-1542 available by request