D530-0057 Screening compound: 2-{5,7-diphenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-4-yl}-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

D530-0057 Screening compound: 2-{5,7-diphenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-4-yl}-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one
D530-0057 Screening compound: 2-{5,7-diphenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-4-yl}-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D530-0057
2-{5,7-diphenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-4-yl}-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

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

D530-0057

Molecular Formula

C28H26FN7O (C28 H26 FN7 O)

Compound Name

2-{5,7-diphenyl-4H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-4-yl}-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

IUPAC name

2-{57-diphenyl-4H7H-[1234]tetrazolo[15-a]pyrimidin-4-yl}-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

SMILES

O=C(CN1C(c2ccccc2)=CC(c2ccccc2)n2nnnc12)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C28H26FN7O/c29-23-11-13-24(14-12-23)33-15-17-34(18-16-33)27(37)20-35-25(21-7-3-1-4-8-21)19-26(22-9-5-2-6-10-22)36-28(35)30-31-32-36/h1-14,19,26H,15-18,20H2/t26-/m1/s1

InChI Key

GZZCVJDYMSVGKZ-AREMUKBSSA-N

MDL Number (MFCD)

MFCD27591411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.257

Distribution Coefficient, logD

4.257

Water Solubility, LogSw

-4.18

Polar Surface Area

60.249

Acid Dissociation Constant (pKa)

15.06

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

D530-0057 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D530-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D530-0057?
Check Price and Availability of D530-0057, 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 D530-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D530-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D530-0057
  • 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 D530-0057 available by request