8018-8145 Screening compound: 5-(2-bromophenyl)-6-[2-(hydroxymethyl)phenyl]-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

8018-8145 Screening compound: 5-(2-bromophenyl)-6-[2-(hydroxymethyl)phenyl]-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
8018-8145 Screening compound: 5-(2-bromophenyl)-6-[2-(hydroxymethyl)phenyl]-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8145
5-(2-bromophenyl)-6-[2-(hydroxymethyl)phenyl]-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-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

8018-8145

Molecular Formula

C21H18BrN3O3 (C21 H18 BrN3 O3)

Compound Name

5-(2-bromophenyl)-6-[2-(hydroxymethyl)phenyl]-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

IUPAC name

5-(2-bromophenyl)-6-[2-(hydroxymethyl)phenyl]-13-dimethyl-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

CN(c(c(C(N1C)=O)c2-c(cccc3)c3Br)cn2-c2c(CO)cccc2)C1=O

InChI

InChI=1S/C21H18BrN3O3/c1-23-17-11-25(16-10-6-3-7-13(16)12-26)19(14-8-4-5-9-15(14)22)18(17)20(27)24(2)21(23)28/h3-11,26H,12H2,1-2H3

InChI Key

OZFLWCOBZXQSOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.086

Distribution Coefficient, logD

3.086

Water Solubility, LogSw

-3.31

Polar Surface Area

49.602

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8018-8145 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-8145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8145?
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What is the minimum amount of 8018-8145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8145
  • 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 8018-8145 available by request