D472-0397 Screening compound: 7-butyl-2-(2-furyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

D472-0397 Screening compound: 7-butyl-2-(2-furyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
D472-0397 Screening compound: 7-butyl-2-(2-furyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0397
7-butyl-2-(2-furyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

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

D472-0397

Molecular Formula

C17H19N5O (C17 H19 N5 O)

Compound Name

7-butyl-2-(2-furyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

10-butyl-4-(furan-2-yl)-1112-dimethyl-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

CCCCn(c(C)c1C)c2c1c1nc(-c3ccco3)nn1cn2

InChI

InChI=1S/C17H19N5O/c1-4-5-8-21-12(3)11(2)14-16(21)18-10-22-17(14)19-15(20-22)13-7-6-9-23-13/h6-7,9-10H,4-5,8H2,1-3H3

InChI Key

MCJHPALXCXVGPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.37

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

3.322

Distribution Coefficient, logD

3.216

Water Solubility, LogSw

-3.62

Polar Surface Area

40.902

Acid Dissociation Constant (pKa)

23.82

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with D472-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0397?
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What is the minimum amount of D472-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0397
  • 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 D472-0397 available by request