8015-3590 Screening compound: N-(2-{2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamido}phenyl)-4-(trifluoromethyl)benzamide

8015-3590 Screening compound: N-(2-{2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamido}phenyl)-4-(trifluoromethyl)benzamide
8015-3590 Screening compound: N-(2-{2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamido}phenyl)-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3590
N-(2-{2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamido}phenyl)-4-(trifluoromethyl)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

8015-3590

Molecular Formula

C23H21F3N4O3S (C23 H21 F3 N4 O3 S)

Compound Name

N-(2-{2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamido}phenyl)-4-(trifluoromethyl)benzamide

IUPAC name

N-(2-{2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamido}phenyl)-4-(trifluoromethyl)benzamide

SMILES

CCCc1nc(SCC(Nc(cccc2)c2NC(c2ccc(C(F)(F)F)cc2)=O)=O)nc(O)c1

InChI

InChI=1S/C23H21F3N4O3S/c1-2-5-16-12-19(31)30-22(27-16)34-13-20(32)28-17-6-3-4-7-18(17)29-21(33)14-8-10-15(11-9-14)23(24,25)26/h3-4,6-12H,2,5,13H2,1H3,(H,28,32)(H,29,33)(H,27,30,31)

InChI Key

QRMVRFDSOWCWDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.580

Distribution Coefficient, logD

4.406

Water Solubility, LogSw

-4.30

Polar Surface Area

79.859

Acid Dissociation Constant (pKa)

7.71

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

8015-3590 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 8015-3590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3590?
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What is the minimum amount of 8015-3590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3590
  • 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 8015-3590 available by request