D434-0229 Screening compound: 1-[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-(furan-2-carbonyl)piperazine

D434-0229 Screening compound: 1-[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-(furan-2-carbonyl)piperazine
D434-0229 Screening compound: 1-[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-(furan-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D434-0229
1-[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-(furan-2-carbonyl)piperazine

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

D434-0229

Molecular Formula

C29H27N5O3 (C29 H27 N5 O3)

Compound Name

1-[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-(furan-2-carbonyl)piperazine

IUPAC name

1-[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[23-d]pyrimidin-4-yl]-4-(furan-2-carbonyl)piperazine

SMILES

CCOc(cc1)ccc1-n(cc1-c2ccccc2)c2c1c(N(CC1)CCN1C(c1ccco1)=O)ncn2

InChI

InChI=1S/C29H27N5O3/c1-2-36-23-12-10-22(11-13-23)34-19-24(21-7-4-3-5-8-21)26-27(30-20-31-28(26)34)32-14-16-33(17-15-32)29(35)25-9-6-18-37-25/h3-13,18-20H,2,14-17H2,1H3

InChI Key

WSQYBCYIBSTKCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09762818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.228

Distribution Coefficient, logD

5.120

Water Solubility, LogSw

-5.14

Polar Surface Area

58.370

Acid Dissociation Constant (pKa)

22.54

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

D434-0229 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D434-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D434-0229?
Check Price and Availability of D434-0229, 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 D434-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D434-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D434-0229
  • 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 D434-0229 available by request