8010-0044 Screening compound: 2-({1-[4-(3-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)phenyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

8010-0044 Screening compound: 2-({1-[4-(3-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)phenyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
8010-0044 Screening compound: 2-({1-[4-(3-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)phenyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0044
2-({1-[4-(3-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)phenyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

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

8010-0044

Molecular Formula

C40H22F6N6O4S2 (C40 H22 F6 N6 O4 S2)

Compound Name

2-({1-[4-(3-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)phenyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

IUPAC name

2-({1-[4-(3-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-25-dioxopyrrolidin-1-yl)phenyl]-25-dioxopyrrolidin-3-yl}sulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

SMILES

N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SC(CC(N1c(cc2)ccc2N(C(CC2Sc3nc(-c4ccccc4)cc(C(F)(F)F)c3C#N)=O)C2=O)=O)C1=O

InChI

InChI=1S/C40H22F6N6O4S2/c41-39(42,43)27-15-29(21-7-3-1-4-8-21)49-35(25(27)19-47)57-31-17-33(53)51(37(31)55)23-11-13-24(14-12-23)52-34(54)18-32(38(52)56)58-36-26(20-48)28(40(44,45)46)16-30(50-36)22-9-5-2-6-10-22/h1-16,31-32H,17-18H2

InChI Key

INMULCJOFCFBLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01926070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

828.78

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

7.615

Distribution Coefficient, logD

7.615

Water Solubility, LogSw

-6.20

Polar Surface Area

109.141

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

15.00

8010-0044 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8010-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0044?
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What is the minimum amount of 8010-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0044
  • 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 8010-0044 available by request