D472-1102 Screening compound: 2-(7-cycloheptyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenyl methyl ether

D472-1102 Screening compound: 2-(7-cycloheptyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenyl methyl ether
D472-1102 Screening compound: 2-(7-cycloheptyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-1102
2-(7-cycloheptyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenyl 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

D472-1102

Molecular Formula

C23H27N5O (C23 H27 N5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C)n(C2CCCCCC2)c2c1c1nc(-c(cccc3)c3OC)nn1cn2

InChI

InChI=1S/C23H27N5O/c1-15-16(2)28(17-10-6-4-5-7-11-17)22-20(15)23-25-21(26-27(23)14-24-22)18-12-8-9-13-19(18)29-3/h8-9,12-14,17H,4-7,10-11H2,1-3H3

InChI Key

UKCCTXNALJNZAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.848

Distribution Coefficient, logD

4.743

Water Solubility, LogSw

-4.87

Polar Surface Area

40.612

Acid Dissociation Constant (pKa)

21.53

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with D472-1102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-1102?
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What is the minimum amount of D472-1102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-1102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-1102
  • 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 D472-1102 available by request