D576-0171 Screening compound: 5-bromo-N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)furan-2-carboxamide

D576-0171 Screening compound: 5-bromo-N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)furan-2-carboxamide
D576-0171 Screening compound: 5-bromo-N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D576-0171
5-bromo-N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)furan-2-carboxamide

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

D576-0171

Molecular Formula

C21H22BrN5O2 (C21 H22 BrN5 O2)

Compound Name

5-bromo-N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)furan-2-carboxamide

IUPAC name

5-bromo-N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)furan-2-carboxamide

SMILES

Cc1cc(Nc(cc2)ccc2NC(c(o2)ccc2Br)=O)nc(N2CCCCC2)n1

InChI

InChI=1S/C21H22BrN5O2/c1-14-13-19(26-21(23-14)27-11-3-2-4-12-27)24-15-5-7-16(8-6-15)25-20(28)17-9-10-18(22)29-17/h5-10,13H,2-4,11-12H2,1H3,(H,25,28)(H,23,24,26)

InChI Key

SEVIRMMOOZPZTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.289

Distribution Coefficient, logD

4.670

Water Solubility, LogSw

-5.18

Polar Surface Area

62.492

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

7.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D576-0171 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 D576-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D576-0171?
Check Price and Availability of D576-0171, 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 D576-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D576-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D576-0171
  • 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 D576-0171 available by request