D472-0758 Screening compound: 4-{[7-(2,3-dimethylphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}phenyl methyl ether

D472-0758 Screening compound: 4-{[7-(2,3-dimethylphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}phenyl methyl ether
D472-0758 Screening compound: 4-{[7-(2,3-dimethylphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0758
4-{[7-(2,3-dimethylphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}phenyl methyl ether

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

D472-0758

Molecular Formula

C25H25N5O (C25 H25 N5 O)

Compound Name

4-{[7-(2,3-dimethylphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}phenyl methyl ether

IUPAC name

10-(23-dimethylphenyl)-4-[(4-methoxyphenyl)methyl]-1112-dimethyl-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

Cc(c1c2ncn3nc(Cc(cc4)ccc4OC)nc13)c(C)n2-c1c(C)c(C)ccc1

InChI

InChI=1S/C25H25N5O/c1-15-7-6-8-21(16(15)2)30-18(4)17(3)23-24(30)26-14-29-25(23)27-22(28-29)13-19-9-11-20(31-5)12-10-19/h6-12,14H,13H2,1-5H3

InChI Key

LDWLMGJPEJWOCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.052

Distribution Coefficient, logD

4.652

Water Solubility, LogSw

-4.99

Polar Surface Area

41.051

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

7.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

D472-0758 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D472-0758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0758?
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What is the minimum amount of D472-0758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0758
  • 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 D472-0758 available by request