Y070-5123 Screening compound: 1-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(2-fluorophenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one

Y070-5123 Screening compound: 1-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(2-fluorophenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one
Y070-5123 Screening compound: 1-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(2-fluorophenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-5123
1-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(2-fluorophenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-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

Y070-5123

Molecular Formula

C20H16FN3O4S2 (C20 H16 FN3 O4 S2)

Compound Name

1-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(2-fluorophenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

1-[5-(ethylsulfanyl)-134-thiadiazol-2-yl]-5-(2-fluorophenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-25-dihydro-1H-pyrrol-2-one

SMILES

CCSc1nnc(N(C(C(C(c2ccc(C)o2)=O)=C2O)c(cccc3)c3F)C2=O)s1

InChI

InChI=1S/C20H16FN3O4S2/c1-3-29-20-23-22-19(30-20)24-15(11-6-4-5-7-12(11)21)14(17(26)18(24)27)16(25)13-9-8-10(2)28-13/h4-9,15,26H,3H2,1-2H3/t15-/m1/s1

InChI Key

LBEXCFGVJXJLGI-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD06773603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.121

Distribution Coefficient, logD

3.843

Water Solubility, LogSw

-4.01

Polar Surface Area

74.988

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

-8.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

Y070-5123 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y070-5123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-5123?
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What is the minimum amount of Y070-5123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-5123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-5123
  • 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 Y070-5123 available by request