8009-1120 Screening compound: N~1~-{1-[(2-isopropyl-6-methyl-4-pyrimidinyl)sulfanyl]-2-oxo-2-phenylethyl}benzamide

8009-1120 Screening compound: N~1~-{1-[(2-isopropyl-6-methyl-4-pyrimidinyl)sulfanyl]-2-oxo-2-phenylethyl}benzamide
8009-1120 Screening compound: N~1~-{1-[(2-isopropyl-6-methyl-4-pyrimidinyl)sulfanyl]-2-oxo-2-phenylethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1120
N~1~-{1-[(2-isopropyl-6-methyl-4-pyrimidinyl)sulfanyl]-2-oxo-2-phenylethyl}benzamide

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

8009-1120

Molecular Formula

C23H23N3O2S (C23 H23 N3 O2 S)

Compound Name

N~1~-{1-[(2-isopropyl-6-methyl-4-pyrimidinyl)sulfanyl]-2-oxo-2-phenylethyl}benzamide

IUPAC name

N-(1-{[6-methyl-2-(propan-2-yl)pyrimidin-4-yl]sulfanyl}-2-oxo-2-phenylethyl)benzamide

SMILES

CC(C)c1nc(C)cc(SC(C(c2ccccc2)=O)NC(c2ccccc2)=O)n1

InChI

InChI=1S/C23H23N3O2S/c1-15(2)21-24-16(3)14-19(25-21)29-23(20(27)17-10-6-4-7-11-17)26-22(28)18-12-8-5-9-13-18/h4-15,23H,1-3H3,(H,26,28)/t23-/m0/s1

InChI Key

UWCSJHBRRDCZOY-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01461310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.419

Distribution Coefficient, logD

4.415

Water Solubility, LogSw

-4.28

Polar Surface Area

54.762

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.74

8009-1120 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-1120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1120?
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What is the minimum amount of 8009-1120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1120
  • 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 8009-1120 available by request