K405-1054 Screening compound: N-[2-(4-chlorophenyl)ethyl]-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

K405-1054 Screening compound: N-[2-(4-chlorophenyl)ethyl]-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
K405-1054 Screening compound: N-[2-(4-chlorophenyl)ethyl]-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-1054
N-[2-(4-chlorophenyl)ethyl]-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

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

K405-1054

Molecular Formula

C28H25ClN4O (C28 H25 ClN4 O)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[23-d]pyrimidin-4-amine

SMILES

CCOc(cc1)ccc1-n(cc1-c2ccccc2)c2c1c(NCCc(cc1)ccc1Cl)ncn2

InChI

InChI=1S/C28H25ClN4O/c1-2-34-24-14-12-23(13-15-24)33-18-25(21-6-4-3-5-7-21)26-27(31-19-32-28(26)33)30-17-16-20-8-10-22(29)11-9-20/h3-15,18-19H,2,16-17H2,1H3,(H,30,31,32)

InChI Key

YFNDQVQPMCTTPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04450732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.99

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.844

Distribution Coefficient, logD

6.809

Water Solubility, LogSw

-6.54

Polar Surface Area

40.666

Acid Dissociation Constant (pKa)

19.28

Base Dissociation Constant (pKb)

6.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

K405-1054 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K405-1054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-1054?
Check Price and Availability of K405-1054, 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 K405-1054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-1054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-1054
  • 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 K405-1054 available by request