D472-0964 Screening compound: 4-{2-[8,9-dimethyl-2-(3-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}-2-ethoxyphenyl ethyl ether

D472-0964 Screening compound: 4-{2-[8,9-dimethyl-2-(3-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}-2-ethoxyphenyl ethyl ether
D472-0964 Screening compound: 4-{2-[8,9-dimethyl-2-(3-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}-2-ethoxyphenyl ethyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0964
4-{2-[8,9-dimethyl-2-(3-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}-2-ethoxyphenyl ethyl 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

D472-0964

Molecular Formula

C28H31N5O2 (C28 H31 N5 O2)

Compound Name

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

IUPAC name

10-[2-(34-diethoxyphenyl)ethyl]-1112-dimethyl-4-(3-methylphenyl)-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

CCOc(ccc(CCn(c(C)c1C)c2c1c1nc(-c3cc(C)ccc3)nn1cn2)c1)c1OCC

InChI

InChI=1S/C28H31N5O2/c1-6-34-23-12-11-21(16-24(23)35-7-2)13-14-32-20(5)19(4)25-27(32)29-17-33-28(25)30-26(31-33)22-10-8-9-18(3)15-22/h8-12,15-17H,6-7,13-14H2,1-5H3

InChI Key

KHZXFDBYAYDDIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.188

Distribution Coefficient, logD

4.847

Water Solubility, LogSw

-5.37

Polar Surface Area

46.473

Acid Dissociation Constant (pKa)

22.89

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with D472-0964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0964?
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What is the minimum amount of D472-0964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0964
  • 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 D472-0964 available by request