D472-0375 Screening compound: 4-(7-butyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-methoxyphenyl methyl ether

D472-0375 Screening compound: 4-(7-butyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-methoxyphenyl methyl ether
D472-0375 Screening compound: 4-(7-butyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-methoxyphenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0375
4-(7-butyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-methoxyphenyl 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

D472-0375

Molecular Formula

C21H25N5O2 (C21 H25 N5 O2)

Compound Name

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

IUPAC name

10-butyl-4-(34-dimethoxyphenyl)-1112-dimethyl-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

CCCCn(c(C)c1C)c2c1c1nc(-c(cc3)cc(OC)c3OC)nn1cn2

InChI

InChI=1S/C21H25N5O2/c1-6-7-10-25-14(3)13(2)18-20(25)22-12-26-21(18)23-19(24-26)15-8-9-16(27-4)17(11-15)28-5/h8-9,11-12H,6-7,10H2,1-5H3

InChI Key

WMSYJGYEZSITIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.995

Distribution Coefficient, logD

3.373

Water Solubility, LogSw

-4.33

Polar Surface Area

47.585

Acid Dissociation Constant (pKa)

23.82

Base Dissociation Constant (pKb)

7.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D472-0375 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D472-0375 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0375?
Check Price and Availability of D472-0375, 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 D472-0375 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0375
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0375
  • 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 D472-0375 available by request