D530-0049 Screening compound: 2-{5,7-diphenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-4-yl}-N-[(4-methylphenyl)methyl]acetamide

D530-0049 Screening compound: 2-{5,7-diphenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-4-yl}-N-[(4-methylphenyl)methyl]acetamide
D530-0049 Screening compound: 2-{5,7-diphenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-4-yl}-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D530-0049
2-{5,7-diphenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-4-yl}-N-[(4-methylphenyl)methyl]acetamide

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

D530-0049

Molecular Formula

C26H24N6O (C26 H24 N6 O)

Compound Name

2-{5,7-diphenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-4-yl}-N-[(4-methylphenyl)methyl]acetamide

IUPAC name

2-{57-diphenyl-4H7H-[1234]tetrazolo[15-a]pyrimidin-4-yl}-N-[(4-methylphenyl)methyl]acetamide

SMILES

Cc1ccc(CNC(CN2C(c3ccccc3)=CC(c3ccccc3)n3nnnc23)=O)cc1

InChI

InChI=1S/C26H24N6O/c1-19-12-14-20(15-13-19)17-27-25(33)18-31-23(21-8-4-2-5-9-21)16-24(22-10-6-3-7-11-22)32-26(31)28-29-30-32/h2-16,24H,17-18H2,1H3,(H,27,33)/t24-/m1/s1

InChI Key

MBWMUWKXONTVKK-XMMPIXPASA-N

MDL Number (MFCD)

MFCD27591407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.544

Distribution Coefficient, logD

4.544

Water Solubility, LogSw

-4.24

Polar Surface Area

65.068

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

D530-0049 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

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

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
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 D530-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D530-0049?
Check Price and Availability of D530-0049, 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 D530-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D530-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D530-0049
  • 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 D530-0049 available by request