D472-1138 Screening compound: 2-{1-[8,9-dimethyl-7-(3-morpholinopropyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1H-isoindole-1,3(2H)-dione

D472-1138 Screening compound: 2-{1-[8,9-dimethyl-7-(3-morpholinopropyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1H-isoindole-1,3(2H)-dione
D472-1138 Screening compound: 2-{1-[8,9-dimethyl-7-(3-morpholinopropyl)-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 D472-1138
2-{1-[8,9-dimethyl-7-(3-morpholinopropyl)-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

D472-1138

Molecular Formula

C26H29N7O3 (C26 H29 N7 O3)

Compound Name

2-{1-[8,9-dimethyl-7-(3-morpholinopropyl)-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-(1-{1112-dimethyl-10-[3-(morpholin-4-yl)propyl]-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaen-4-yl}ethyl)-23-dihydro-1H-isoindole-13-dione

SMILES

CC(c1nn(cnc2c3c(C)c(C)n2CCCN2CCOCC2)c3n1)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C26H29N7O3/c1-16-17(2)31(10-6-9-30-11-13-36-14-12-30)23-21(16)24-28-22(29-32(24)15-27-23)18(3)33-25(34)19-7-4-5-8-20(19)26(33)35/h4-5,7-8,15,18H,6,9-14H2,1-3H3/t18-/m0/s1

InChI Key

ROGJOAKFKSADMN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14830842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.426

Distribution Coefficient, logD

2.186

Water Solubility, LogSw

-2.83

Polar Surface Area

72.809

Acid Dissociation Constant (pKa)

24.72

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

D472-1138 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Nervous system
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D472-1138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-1138?
Check Price and Availability of D472-1138, 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 D472-1138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-1138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-1138
  • 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 D472-1138 available by request