D472-1042 Screening compound: N-{2-[2-(2-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}-N,N-diethylamine

D472-1042 Screening compound: N-{2-[2-(2-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}-N,N-diethylamine
D472-1042 Screening compound: N-{2-[2-(2-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}-N,N-diethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-1042
N-{2-[2-(2-chlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}-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

D472-1042

Molecular Formula

C21H25ClN6 (C21 H25 ClN6)

Compound Name

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

IUPAC name

{2-[4-(2-chlorophenyl)-1112-dimethyl-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaen-10-yl]ethyl}diethylamine

SMILES

CCN(CC)CCn(c(C)c1C)c2c1c1nc(-c(cccc3)c3Cl)nn1cn2

InChI

InChI=1S/C21H25ClN6/c1-5-26(6-2)11-12-27-15(4)14(3)18-20(27)23-13-28-21(18)24-19(25-28)16-9-7-8-10-17(16)22/h7-10,13H,5-6,11-12H2,1-4H3

InChI Key

HIKLMEQWDVSJAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.074

Distribution Coefficient, logD

2.728

Water Solubility, LogSw

-4.34

Polar Surface Area

35.735

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

8.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D472-1042 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 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

References: we are preparing a list of scientific research reports with D472-1042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-1042?
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What is the minimum amount of D472-1042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-1042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-1042
  • 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 D472-1042 available by request