Y010-1457 Screening compound: methyl 2-[2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamido]benzoate

Y010-1457 Screening compound: methyl 2-[2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamido]benzoate
Y010-1457 Screening compound: methyl 2-[2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1457
methyl 2-[2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamido]benzoate

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

Y010-1457

Molecular Formula

C20H16N4O4S3 (C20 H16 N4 O4 S3)

Compound Name

methyl 2-[2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamido]benzoate

IUPAC name

methyl 2-[2-({5-[(13-benzothiazol-2-ylsulfanyl)methyl]-134-oxadiazol-2-yl}sulfanyl)acetamido]benzoate

SMILES

COC(c(cccc1)c1NC(CSc1nnc(CSc2nc(cccc3)c3s2)o1)=O)=O

InChI

InChI=1S/C20H16N4O4S3/c1-27-18(26)12-6-2-3-7-13(12)21-16(25)10-29-19-24-23-17(28-19)11-30-20-22-14-8-4-5-9-15(14)31-20/h2-9H,10-11H2,1H3,(H,21,25)

InChI Key

SNBJHOQBPNKJMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03290152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.835

Distribution Coefficient, logD

3.821

Water Solubility, LogSw

-4.02

Polar Surface Area

82.437

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

Y010-1457 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 Y010-1457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1457?
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What is the minimum amount of Y010-1457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1457
  • 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 Y010-1457 available by request