C280-0999 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-{[6-methyl-4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

C280-0999 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-{[6-methyl-4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
C280-0999 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-{[6-methyl-4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C280-0999
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-{[6-methyl-4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]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

C280-0999

Molecular Formula

C20H21N5O2S3 (C20 H21 N5 O2 S3)

Compound Name

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-{[6-methyl-4-oxo-3-(2-phenylethyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-(5-methyl-134-thiadiazol-2-yl)-2-{[6-methyl-4-oxo-3-(2-phenylethyl)-3H4H6H7H-thieno[32-d]pyrimidin-2-yl]sulfanyl}acetamide

SMILES

CC(C1)SC(C(N2CCc3ccccc3)=O)=C1N=C2SCC(Nc1nnc(C)s1)=O

InChI

InChI=1S/C20H21N5O2S3/c1-12-10-15-17(29-12)18(27)25(9-8-14-6-4-3-5-7-14)20(21-15)28-11-16(26)22-19-24-23-13(2)30-19/h3-7,12H,8-11H2,1-2H3,(H,22,24,26)/t12-/m1/s1

InChI Key

ZXSDKRCDHQMYOF-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD04997071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.068

Distribution Coefficient, logD

3.037

Water Solubility, LogSw

-3.36

Polar Surface Area

72.587

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

C280-0999 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C280-0999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C280-0999?
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What is the minimum amount of C280-0999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C280-0999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C280-0999
  • 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 C280-0999 available by request