D041-0037 Screening compound: 2-[(4-hydroxy-6-phenylpyrimidin-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethan-1-one

D041-0037 Screening compound: 2-[(4-hydroxy-6-phenylpyrimidin-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethan-1-one
D041-0037 Screening compound: 2-[(4-hydroxy-6-phenylpyrimidin-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D041-0037
2-[(4-hydroxy-6-phenylpyrimidin-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethan-1-one

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

D041-0037

Molecular Formula

C20H15N3O2S (C20 H15 N3 O2 S)

Compound Name

2-[(4-hydroxy-6-phenylpyrimidin-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethan-1-one

IUPAC name

2-[(4-hydroxy-6-phenylpyrimidin-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethan-1-one

SMILES

Oc1cc(-c2ccccc2)nc(SCC(c2c[nH]c3c2cccc3)=O)n1

InChI

InChI=1S/C20H15N3O2S/c24-18(15-11-21-16-9-5-4-8-14(15)16)12-26-20-22-17(10-19(25)23-20)13-6-2-1-3-7-13/h1-11,21H,12H2,(H,22,23,25)

InChI Key

HSRJVVCYZZQPFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03150489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.505

Distribution Coefficient, logD

4.268

Water Solubility, LogSw

-4.23

Polar Surface Area

57.365

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

D041-0037 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D041-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D041-0037?
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What is the minimum amount of D041-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D041-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D041-0037
  • 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 D041-0037 available by request