7282-5401 Screening compound: 7-[(4-bromophenyl)methyl]-8-[(2-methoxyethyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7282-5401 Screening compound: 7-[(4-bromophenyl)methyl]-8-[(2-methoxyethyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7282-5401 Screening compound: 7-[(4-bromophenyl)methyl]-8-[(2-methoxyethyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7282-5401
7-[(4-bromophenyl)methyl]-8-[(2-methoxyethyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-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

7282-5401

Molecular Formula

C17H20BrN5O3 (C17 H20 BrN5 O3)

Compound Name

7-[(4-bromophenyl)methyl]-8-[(2-methoxyethyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[(4-bromophenyl)methyl]-8-[(2-methoxyethyl)amino]-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(Cc(cc3)ccc3Br)c(NCCOC)n1)C2=O

InChI

InChI=1S/C17H20BrN5O3/c1-21-14-13(15(24)22(2)17(21)25)23(16(20-14)19-8-9-26-3)10-11-4-6-12(18)7-5-11/h4-7H,8-10H2,1-3H3,(H,19,20)

InChI Key

SRDIILMBQXSLKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.129

Distribution Coefficient, logD

3.128

Water Solubility, LogSw

-3.14

Polar Surface Area

63.302

Acid Dissociation Constant (pKa)

19.44

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

7282-5401 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7282-5401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7282-5401?
Check Price and Availability of 7282-5401, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7282-5401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7282-5401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7282-5401
  • 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 7282-5401 available by request