7742-0248 Screening compound: 1,3-dimethyl-10-(4-methylphenyl)-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purine-2,4-dione

7742-0248 Screening compound: 1,3-dimethyl-10-(4-methylphenyl)-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purine-2,4-dione
7742-0248 Screening compound: 1,3-dimethyl-10-(4-methylphenyl)-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7742-0248
1,3-dimethyl-10-(4-methylphenyl)-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purine-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

7742-0248

Molecular Formula

C18H21N5O2 (C18 H21 N5 O2)

Compound Name

1,3-dimethyl-10-(4-methylphenyl)-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purine-2,4-dione

IUPAC name

13-dimethyl-10-(4-methylphenyl)-1H2H3H4H6H7H8H9H10H-[13]diazepino[12-g]purine-24-dione

SMILES

Cc(cc1)ccc1N1c2nc(N(C)C(N(C)C3=O)=O)c3n2CCCC1

InChI

InChI=1S/C18H21N5O2/c1-12-6-8-13(9-7-12)22-10-4-5-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h6-9H,4-5,10-11H2,1-3H3

InChI Key

RZMWEQVJLVYNJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00653080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.325

Distribution Coefficient, logD

3.325

Water Solubility, LogSw

-3.29

Polar Surface Area

45.151

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

7742-0248 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 7742-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7742-0248?
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What is the minimum amount of 7742-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7742-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7742-0248
  • 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 7742-0248 available by request