D472-1122 Screening compound: N-[4-(7-cycloheptyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenyl]-N,N-dimethylamine

D472-1122 Screening compound: N-[4-(7-cycloheptyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenyl]-N,N-dimethylamine
D472-1122 Screening compound: N-[4-(7-cycloheptyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenyl]-N,N-dimethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-1122
N-[4-(7-cycloheptyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenyl]-N,N-dimethylamine

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

D472-1122

Molecular Formula

C24H30N6 (C24 H30 N6)

Compound Name

N-[4-(7-cycloheptyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenyl]-N,N-dimethylamine

IUPAC name

4-{10-cycloheptyl-1112-dimethyl-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaen-4-yl}-NN-dimethylaniline

SMILES

Cc1c(C)n(C2CCCCCC2)c2c1c1nc(-c(cc3)ccc3N(C)C)nn1cn2

InChI

InChI=1S/C24H30N6/c1-16-17(2)30(20-9-7-5-6-8-10-20)23-21(16)24-26-22(27-29(24)15-25-23)18-11-13-19(14-12-18)28(3)4/h11-15,20H,5-10H2,1-4H3

InChI Key

ZSHAEFQWXRRFHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.339

Distribution Coefficient, logD

5.281

Water Solubility, LogSw

-5.53

Polar Surface Area

35.786

Acid Dissociation Constant (pKa)

21.53

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

References: we are preparing a list of scientific research reports with D472-1122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-1122?
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What is the minimum amount of D472-1122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-1122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-1122
  • 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 D472-1122 available by request