8017-2362 Screening compound: N~1~-{4-[5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]phenyl}acetamide

8017-2362 Screening compound: N~1~-{4-[5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]phenyl}acetamide
8017-2362 Screening compound: N~1~-{4-[5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2362
N~1~-{4-[5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]phenyl}acetamide

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

8017-2362

Molecular Formula

C22H18Cl2N4O3 (C22 H18 Cl2 N4 O3)

Compound Name

N~1~-{4-[5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]phenyl}acetamide

IUPAC name

N-{4-[5-(24-dichlorophenyl)-13-dimethyl-24-dioxo-1H2H3H4H6H-pyrrolo[34-d]pyrimidin-6-yl]phenyl}acetamide

SMILES

CC(Nc(cc1)ccc1-n(cc1N(C)C(N2C)=O)c(-c(ccc(Cl)c3)c3Cl)c1C2=O)=O

InChI

InChI=1S/C22H18Cl2N4O3/c1-12(29)25-14-5-7-15(8-6-14)28-11-18-19(21(30)27(3)22(31)26(18)2)20(28)16-9-4-13(23)10-17(16)24/h4-11H,1-3H3,(H,25,29)

InChI Key

QQLOPOZJMJIVRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.941

Distribution Coefficient, logD

3.941

Water Solubility, LogSw

-4.67

Polar Surface Area

56.049

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.64

References: we are preparing a list of scientific research reports with 8017-2362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2362?
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What is the minimum amount of 8017-2362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2362
  • 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 8017-2362 available by request