P772-0028 Screening compound: propan-2-yl 1-butyl-6-methyl-2-oxo-4-[4-(thiophene-2-amido)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

P772-0028 Screening compound: propan-2-yl 1-butyl-6-methyl-2-oxo-4-[4-(thiophene-2-amido)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
P772-0028 Screening compound: propan-2-yl 1-butyl-6-methyl-2-oxo-4-[4-(thiophene-2-amido)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound P772-0028
propan-2-yl 1-butyl-6-methyl-2-oxo-4-[4-(thiophene-2-amido)phenyl]-1,2,3,4-tetrahydropyrimidine-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

P772-0028

Molecular Formula

C24H29N3O4S (C24 H29 N3 O4 S)

Compound Name

propan-2-yl 1-butyl-6-methyl-2-oxo-4-[4-(thiophene-2-amido)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

propan-2-yl 1-butyl-6-methyl-2-oxo-4-[4-(thiophene-2-amido)phenyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCCCN(C(C)=C(C(c(cc1)ccc1NC(c1cccs1)=O)N1)C(OC(C)C)=O)C1=O

InChI

InChI=1S/C24H29N3O4S/c1-5-6-13-27-16(4)20(23(29)31-15(2)3)21(26-24(27)30)17-9-11-18(12-10-17)25-22(28)19-8-7-14-32-19/h7-12,14-15,21H,5-6,13H2,1-4H3,(H,25,28)(H,26,30)/t21-/m0/s1

InChI Key

QFMDYJBFOGMMBM-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14340047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.724

Distribution Coefficient, logD

4.724

Water Solubility, LogSw

-4.25

Polar Surface Area

72.430

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

P772-0028 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P772-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P772-0028?
Check Price and Availability of P772-0028, 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 P772-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P772-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P772-0028
  • 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 P772-0028 available by request