D472-0207 Screening compound: 2-{2-[8,9-dimethyl-7-(4-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1H-isoindole-1,3(2H)-dione

D472-0207 Screening compound: 2-{2-[8,9-dimethyl-7-(4-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1H-isoindole-1,3(2H)-dione
D472-0207 Screening compound: 2-{2-[8,9-dimethyl-7-(4-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1H-isoindole-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0207
2-{2-[8,9-dimethyl-7-(4-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1H-isoindole-1,3(2H)-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

D472-0207

Molecular Formula

C26H22N6O2 (C26 H22 N6 O2)

Compound Name

2-{2-[8,9-dimethyl-7-(4-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1H-isoindole-1,3(2H)-dione

IUPAC name

2-{2-[1112-dimethyl-10-(4-methylphenyl)-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaen-4-yl]ethyl}-23-dihydro-1H-isoindole-13-dione

SMILES

Cc(c1c2ncn3nc(CCN(C(c4c5cccc4)=O)C5=O)nc13)c(C)n2-c1ccc(C)cc1

InChI

InChI=1S/C26H22N6O2/c1-15-8-10-18(11-9-15)32-17(3)16(2)22-23(32)27-14-31-24(22)28-21(29-31)12-13-30-25(33)19-6-4-5-7-20(19)26(30)34/h4-11,14H,12-13H2,1-3H3

InChI Key

RGDDCPFDUYKXEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.833

Distribution Coefficient, logD

3.769

Water Solubility, LogSw

-4.17

Polar Surface Area

63.311

Acid Dissociation Constant (pKa)

28.14

Base Dissociation Constant (pKb)

6.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

D472-0207 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D472-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0207?
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What is the minimum amount of D472-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0207
  • 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 D472-0207 available by request