P772-0064 Screening compound: propan-2-yl 4-[4-(cyclohexylcarbamoyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate

P772-0064 Screening compound: propan-2-yl 4-[4-(cyclohexylcarbamoyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate
P772-0064 Screening compound: propan-2-yl 4-[4-(cyclohexylcarbamoyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound P772-0064
propan-2-yl 4-[4-(cyclohexylcarbamoyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate

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

P772-0064

Molecular Formula

C28H37N5O4 (C28 H37 N5 O4)

Compound Name

propan-2-yl 4-[4-(cyclohexylcarbamoyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate

IUPAC name

propan-2-yl 4-[4-(cyclohexylcarbamoyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate

SMILES

CC(C)OC(c1c(C)nc(-c2ccccc2)nc1C(N(CC1)CC(C)N1C(NC1CCCCC1)=O)=O)=O

InChI

InChI=1S/C28H37N5O4/c1-18(2)37-27(35)23-20(4)29-25(21-11-7-5-8-12-21)31-24(23)26(34)32-15-16-33(19(3)17-32)28(36)30-22-13-9-6-10-14-22/h5,7-8,11-12,18-19,22H,6,9-10,13-17H2,1-4H3,(H,30,36)/t19-/m0/s1

InChI Key

BRNAFAQVUOMOAM-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14323522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.232

Distribution Coefficient, logD

5.232

Water Solubility, LogSw

-5.07

Polar Surface Area

82.509

Acid Dissociation Constant (pKa)

17.43

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.60

P772-0064 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Peptidomimetic Library (37031 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P772-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P772-0064?
Check Price and Availability of P772-0064, 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 P772-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P772-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P772-0064
  • 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 P772-0064 available by request