K405-0778 Screening compound: 1-(4-{4-[7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}phenyl)ethan-1-one

K405-0778 Screening compound: 1-(4-{4-[7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}phenyl)ethan-1-one
K405-0778 Screening compound: 1-(4-{4-[7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}phenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-0778
1-(4-{4-[7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}phenyl)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

K405-0778

Molecular Formula

C30H26FN5O (C30 H26 FN5 O)

Compound Name

1-(4-{4-[7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}phenyl)ethan-1-one

IUPAC name

1-(4-{4-[7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[23-d]pyrimidin-4-yl]piperazin-1-yl}phenyl)ethan-1-one

SMILES

CC(c(cc1)ccc1N(CC1)CCN1c1c(c(-c2ccccc2)cn2-c(cc3)ccc3F)c2ncn1)=O

InChI

InChI=1S/C30H26FN5O/c1-21(37)22-7-11-25(12-8-22)34-15-17-35(18-16-34)29-28-27(23-5-3-2-4-6-23)19-36(30(28)33-20-32-29)26-13-9-24(31)10-14-26/h2-14,19-20H,15-18H2,1H3

InChI Key

FSFADXHMLFUTDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04451047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.979

Distribution Coefficient, logD

5.871

Water Solubility, LogSw

-5.83

Polar Surface Area

43.299

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K405-0778 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with K405-0778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-0778?
Check Price and Availability of K405-0778, 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 K405-0778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-0778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-0778
  • 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 K405-0778 available by request