P772-0069A Screening compound: 2-[(3-aminopropyl)amino]-N~5~-benzyl-4-[(cyclohexylmethyl)amino]-5-pyrimidinecarboxamide

P772-0069A Screening compound: 2-[(3-aminopropyl)amino]-N~5~-benzyl-4-[(cyclohexylmethyl)amino]-5-pyrimidinecarboxamide
P772-0069A Screening compound: 2-[(3-aminopropyl)amino]-N~5~-benzyl-4-[(cyclohexylmethyl)amino]-5-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P772-0069A
2-[(3-aminopropyl)amino]-N~5~-benzyl-4-[(cyclohexylmethyl)amino]-5-pyrimidinecarboxamide

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

P772-0069A

Molecular Formula

C22H32N6O (C22 H32 N6 O)

Compound Name

2-[(3-aminopropyl)amino]-N~5~-benzyl-4-[(cyclohexylmethyl)amino]-5-pyrimidinecarboxamide

IUPAC name

n/a

SMILES

NCCCNc(nc1)nc(NCC2CCCCC2)c1C(NCc1ccccc1)=O

InChI

InChI=1S/C22H32N6O/c23-12-7-13-24-22-27-16-19(21(29)26-15-18-10-5-2-6-11-18)20(28-22)25-14-17-8-3-1-4-9-17/h2,5-6,10-11,16-17H,1,3-4,7-9,12-15,23H2,(H,26,29)(H2,24,25,27,28)

InChI Key

AURURKIVWYCSDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.019

Distribution Coefficient, logD

0.438

Water Solubility, LogSw

-3.51

Polar Surface Area

87.448

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with P772-0069A chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P772-0069A?
Check Price and Availability of P772-0069A, 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 P772-0069A you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P772-0069A
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P772-0069A
  • 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 P772-0069A available by request