Y044-1285 Screening compound: N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-{[(6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}acetamide

Y044-1285 Screening compound: N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-{[(6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}acetamide
Y044-1285 Screening compound: N~1~-(5-benzyl-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 Y044-1285
N~1~-(5-benzyl-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

Y044-1285

Molecular Formula

C19H17N5O2S3 (C19 H17 N5 O2 S3)

Compound Name

N~1~-(5-benzyl-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-benzyl-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(Cc3ccccc3)s2)=O)=N2)=O)c2s1

InChI

InChI=1S/C19H17N5O2S3/c1-11-7-13-17(26)20-14(21-18(13)28-11)9-27-10-15(25)22-19-24-23-16(29-19)8-12-5-3-2-4-6-12/h2-7H,8-10H2,1H3,(H,20,21,26)(H,22,24,25)

InChI Key

GRUMVTRETJDVNT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.686

Distribution Coefficient, logD

3.674

Water Solubility, LogSw

-4.00

Polar Surface Area

81.721

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

Y044-1285 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 Y044-1285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-1285?
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What is the minimum amount of Y044-1285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-1285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-1285
  • 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 Y044-1285 available by request