8013-3200 Screening compound: 2-(2-chlorophenyl)-7-cyclohexyl-8,9-diphenyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

8013-3200 Screening compound: 2-(2-chlorophenyl)-7-cyclohexyl-8,9-diphenyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
8013-3200 Screening compound: 2-(2-chlorophenyl)-7-cyclohexyl-8,9-diphenyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3200
2-(2-chlorophenyl)-7-cyclohexyl-8,9-diphenyl-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

8013-3200

Molecular Formula

C31H26ClN5 (C31 H26 ClN5)

Compound Name

2-(2-chlorophenyl)-7-cyclohexyl-8,9-diphenyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

4-(2-chlorophenyl)-10-cyclohexyl-1112-diphenyl-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

Clc(cccc1)c1-c1nn(cnc2c3c(-c4ccccc4)c(-c4ccccc4)n2C2CCCCC2)c3n1

InChI

InChI=1S/C31H26ClN5/c32-25-19-11-10-18-24(25)29-34-31-27-26(21-12-4-1-5-13-21)28(22-14-6-2-7-15-22)37(23-16-8-3-9-17-23)30(27)33-20-36(31)35-29/h1-2,4-7,10-15,18-20,23H,3,8-9,16-17H2

InChI Key

DPOANWFRSNOFLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03312668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.03

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.643

Distribution Coefficient, logD

7.503

Water Solubility, LogSw

-6.94

Polar Surface Area

31.137

Acid Dissociation Constant (pKa)

20.95

Base Dissociation Constant (pKb)

6.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.35

8013-3200 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8013-3200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3200?
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What is the minimum amount of 8013-3200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3200
  • 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 8013-3200 available by request