M867-0038 Screening compound: 2-{6-benzyl-5,7-dioxo-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidin-4-yl}-N-(3-methoxyphenyl)acetamide

M867-0038 Screening compound: 2-{6-benzyl-5,7-dioxo-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidin-4-yl}-N-(3-methoxyphenyl)acetamide
M867-0038 Screening compound: 2-{6-benzyl-5,7-dioxo-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidin-4-yl}-N-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M867-0038
2-{6-benzyl-5,7-dioxo-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidin-4-yl}-N-(3-methoxyphenyl)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

M867-0038

Molecular Formula

C21H18N4O4S (C21 H18 N4 O4 S)

Compound Name

2-{6-benzyl-5,7-dioxo-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidin-4-yl}-N-(3-methoxyphenyl)acetamide

IUPAC name

2-{6-benzyl-57-dioxo-4H5H6H7H-[12]thiazolo[43-d]pyrimidin-4-yl}-N-(3-methoxyphenyl)acetamide

SMILES

COc1cccc(NC(CN(c2csnc2C(N2Cc3ccccc3)=O)C2=O)=O)c1

InChI

InChI=1S/C21H18N4O4S/c1-29-16-9-5-8-15(10-16)22-18(26)12-24-17-13-30-23-19(17)20(27)25(21(24)28)11-14-6-3-2-4-7-14/h2-10,13H,11-12H2,1H3,(H,22,26)

InChI Key

NIOGQECTEWNJPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22594367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.458

Distribution Coefficient, logD

3.458

Water Solubility, LogSw

-3.91

Polar Surface Area

73.051

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

M867-0038 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M867-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M867-0038?
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What is the minimum amount of M867-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M867-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M867-0038
  • 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 M867-0038 available by request