D472-0440 Screening compound: N-{3-[2-(4-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propyl}-N,N-diethylamine

D472-0440 Screening compound: N-{3-[2-(4-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propyl}-N,N-diethylamine
D472-0440 Screening compound: N-{3-[2-(4-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propyl}-N,N-diethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0440
N-{3-[2-(4-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propyl}-N,N-diethylamine

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

D472-0440

Molecular Formula

C22H27ClN6 (C22 H27 ClN6)

Compound Name

N-{3-[2-(4-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propyl}-N,N-diethylamine

IUPAC name

{3-[4-(4-chlorophenyl)-1112-dimethyl-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaen-10-yl]propyl}diethylamine

SMILES

CCN(CC)CCCn(c(C)c1C)c2c1c1nc(-c(cc3)ccc3Cl)nn1cn2

InChI

InChI=1S/C22H27ClN6/c1-5-27(6-2)12-7-13-28-16(4)15(3)19-21(28)24-14-29-22(19)25-20(26-29)17-8-10-18(23)11-9-17/h8-11,14H,5-7,12-13H2,1-4H3

InChI Key

VQZGBDJKWUMLNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.627

Distribution Coefficient, logD

2.197

Water Solubility, LogSw

-4.82

Polar Surface Area

35.735

Acid Dissociation Constant (pKa)

24.72

Base Dissociation Constant (pKb)

9.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

D472-0440 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D472-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0440?
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What is the minimum amount of D472-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0440
  • 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 D472-0440 available by request