D489-1010 Screening compound: N-(2,6-difluorophenyl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

D489-1010 Screening compound: N-(2,6-difluorophenyl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
D489-1010 Screening compound: N-(2,6-difluorophenyl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D489-1010
N-(2,6-difluorophenyl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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

D489-1010

Molecular Formula

C23H18F2N4OS (C23 H18 F2 N4 OS)

Compound Name

N-(2,6-difluorophenyl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-(26-difluorophenyl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

Cc(cc1)ccc1-c(n1-c2ccccc2)nnc1SCC(Nc(c(F)ccc1)c1F)=O

InChI

InChI=1S/C23H18F2N4OS/c1-15-10-12-16(13-11-15)22-27-28-23(29(22)17-6-3-2-4-7-17)31-14-20(30)26-21-18(24)8-5-9-19(21)25/h2-13H,14H2,1H3,(H,26,30)

InChI Key

NWIAORYSCHCVBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14832304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.088

Distribution Coefficient, logD

5.079

Water Solubility, LogSw

-4.88

Polar Surface Area

46.466

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

D489-1010 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D489-1010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D489-1010?
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What is the minimum amount of D489-1010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D489-1010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D489-1010
  • 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 D489-1010 available by request