D472-1125 Screening compound: 7-cycloheptyl-8,9-dimethyl-2-(2-thienyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

D472-1125 Screening compound: 7-cycloheptyl-8,9-dimethyl-2-(2-thienyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
D472-1125 Screening compound: 7-cycloheptyl-8,9-dimethyl-2-(2-thienyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-1125
7-cycloheptyl-8,9-dimethyl-2-(2-thienyl)-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

D472-1125

Molecular Formula

C20H23N5S (C20 H23 N5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C)n(C2CCCCCC2)c2c1c1nc(-c3cccs3)nn1cn2

InChI

InChI=1S/C20H23N5S/c1-13-14(2)25(15-8-5-3-4-6-9-15)19-17(13)20-22-18(16-10-7-11-26-16)23-24(20)12-21-19/h7,10-12,15H,3-6,8-9H2,1-2H3

InChI Key

MRMXBYVLFOAEGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.969

Distribution Coefficient, logD

4.942

Water Solubility, LogSw

-4.84

Polar Surface Area

34.000

Acid Dissociation Constant (pKa)

21.53

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

D472-1125 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D472-1125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-1125?
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What is the minimum amount of D472-1125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-1125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-1125
  • 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 D472-1125 available by request