Y044-1284 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-{[(6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}acetamide

Y044-1284 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-{[(6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}acetamide
Y044-1284 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-{[(6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-1284
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-{[(6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]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

Y044-1284

Molecular Formula

C14H15N5O3S3 (C14 H15 N5 O3 S3)

Compound Name

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-{[(6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}acetamide

IUPAC name

N-[5-(methoxymethyl)-134-thiadiazol-2-yl]-2-[({6-methyl-4-oxo-3H4H-thieno[23-d]pyrimidin-2-yl}methyl)sulfanyl]acetamide

SMILES

Cc1cc(C(NC(CSCC(Nc2nnc(COC)s2)=O)=N2)=O)c2s1

InChI

InChI=1S/C14H15N5O3S3/c1-7-3-8-12(21)15-9(16-13(8)24-7)5-23-6-10(20)17-14-19-18-11(25-14)4-22-2/h3H,4-6H2,1-2H3,(H,15,16,21)(H,17,19,20)

InChI Key

KLGYTZQYYKYGOX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.838

Distribution Coefficient, logD

1.785

Water Solubility, LogSw

-2.65

Polar Surface Area

90.416

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.71

Y044-1284 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 Y044-1284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-1284?
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What is the minimum amount of Y044-1284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-1284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-1284
  • 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 Y044-1284 available by request