Y500-6972 Screening compound: 2-(4-nitrophenyl)-14-phenyl-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

Y500-6972 Screening compound: 2-(4-nitrophenyl)-14-phenyl-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Y500-6972 Screening compound: 2-(4-nitrophenyl)-14-phenyl-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-6972
2-(4-nitrophenyl)-14-phenyl-14H-benzo[7,8]chromeno[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

Y500-6972

Molecular Formula

C28H17N5O3 (C28 H17 N5 O3)

Compound Name

2-(4-nitrophenyl)-14-phenyl-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

6-(4-nitrophenyl)-2-phenyl-12-oxa-57810-tetraazapentacyclo[11.8.0.0^{311}.0^{48}.0^{1419}]henicosa-1(13)3(11)46914(19)151720-nonaene

SMILES

[O-][N+](c(cc1)ccc1-c1nn(cnc2c3C(c4ccccc4)c(ccc4ccccc44)c4O2)c3n1)=O

InChI

InChI=1S/C28H17N5O3/c34-33(35)20-13-10-19(11-14-20)26-30-27-24-23(18-7-2-1-3-8-18)22-15-12-17-6-4-5-9-21(17)25(22)36-28(24)29-16-32(27)31-26/h1-16,23H/t23-/m0/s1

InChI Key

DINKWOFKNTZDBF-QHCPKHFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.033

Distribution Coefficient, logD

5.948

Water Solubility, LogSw

-7.21

Polar Surface Area

74.102

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

3.57

Y500-6972 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y500-6972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-6972?
Check Price and Availability of Y500-6972, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y500-6972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-6972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-6972
  • 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 Y500-6972 available by request