P634-0380 Screening compound: 3-{1-[6-(cyclopropylamino)-4-pyrimidinyl]-3-piperidyl}-N~1~-{2-[3,4-dihydro-2(1H)-isoquinolinyl]ethyl}propanamide

P634-0380 Screening compound: 3-{1-[6-(cyclopropylamino)-4-pyrimidinyl]-3-piperidyl}-N~1~-{2-[3,4-dihydro-2(1H)-isoquinolinyl]ethyl}propanamide
P634-0380 Screening compound: 3-{1-[6-(cyclopropylamino)-4-pyrimidinyl]-3-piperidyl}-N~1~-{2-[3,4-dihydro-2(1H)-isoquinolinyl]ethyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P634-0380
3-{1-[6-(cyclopropylamino)-4-pyrimidinyl]-3-piperidyl}-N~1~-{2-[3,4-dihydro-2(1H)-isoquinolinyl]ethyl}propanamide

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

P634-0380

Molecular Formula

C26H36N6O (C26 H36 N6 O)

Compound Name

3-{1-[6-(cyclopropylamino)-4-pyrimidinyl]-3-piperidyl}-N~1~-{2-[3,4-dihydro-2(1H)-isoquinolinyl]ethyl}propanamide

IUPAC name

n/a

SMILES

O=C(CCC(CCC1)CN1c1ncnc(NC2CC2)c1)NCCN(CC1)Cc2c1cccc2

InChI

InChI=1S/C26H36N6O/c33-26(27-12-15-31-14-11-21-5-1-2-6-22(21)18-31)10-7-20-4-3-13-32(17-20)25-16-24(28-19-29-25)30-23-8-9-23/h1-2,5-6,16,19-20,23H,3-4,7-15,17-18H2,(H,27,33)(H,28,29,30)/t20-/m1/s1

InChI Key

WOSKVDJBKOPDHY-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27607928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.687

Distribution Coefficient, logD

3.251

Water Solubility, LogSw

-4.03

Polar Surface Area

61.442

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

7.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.70

P634-0380 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P634-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P634-0380?
Check Price and Availability of P634-0380, 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 P634-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P634-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P634-0380
  • 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 P634-0380 available by request