6623-1078 Screening compound: methyl 2-[(5-acetyl-6-benzamido-2-phenylpyrimidin-4-yl)sulfanyl]acetate

6623-1078 Screening compound: methyl 2-[(5-acetyl-6-benzamido-2-phenylpyrimidin-4-yl)sulfanyl]acetate
6623-1078 Screening compound: methyl 2-[(5-acetyl-6-benzamido-2-phenylpyrimidin-4-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-1078
methyl 2-[(5-acetyl-6-benzamido-2-phenylpyrimidin-4-yl)sulfanyl]acetate

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

6623-1078

Molecular Formula

C22H19N3O4S (C22 H19 N3 O4 S)

Compound Name

methyl 2-[(5-acetyl-6-benzamido-2-phenylpyrimidin-4-yl)sulfanyl]acetate

IUPAC name

methyl 2-[(5-acetyl-6-benzamido-2-phenylpyrimidin-4-yl)sulfanyl]acetate

SMILES

CC(c1c(NC(c2ccccc2)=O)nc(-c2ccccc2)nc1SCC(OC)=O)=O

InChI

InChI=1S/C22H19N3O4S/c1-14(26)18-20(24-21(28)16-11-7-4-8-12-16)23-19(15-9-5-3-6-10-15)25-22(18)30-13-17(27)29-2/h3-12H,13H2,1-2H3,(H,23,24,25,28)

InChI Key

ODYMEGDLZILFIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.957

Distribution Coefficient, logD

2.314

Water Solubility, LogSw

-4.29

Polar Surface Area

76.806

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

6623-1078 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 6623-1078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-1078?
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What is the minimum amount of 6623-1078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-1078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-1078
  • 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 6623-1078 available by request