E772-0278 Screening compound: 1-({4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}methyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-2-one

E772-0278 Screening compound: 1-({4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}methyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-2-one
E772-0278 Screening compound: 1-({4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}methyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E772-0278
1-({4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}methyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-2-one

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

E772-0278

Molecular Formula

C24H22N4O4S (C24 H22 N4 O4 S)

Compound Name

1-({4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}methyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-2-one

IUPAC name

1-({4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}methyl)-1H2H3H-pyrido[23-b][14]thiazin-2-one

SMILES

O=C(c1ccco1)N(CC1)CCN1C(c1ccc(CN2c3cccnc3SCC2=O)cc1)=O

InChI

InChI=1S/C24H22N4O4S/c29-21-16-33-22-19(3-1-9-25-22)28(21)15-17-5-7-18(8-6-17)23(30)26-10-12-27(13-11-26)24(31)20-4-2-14-32-20/h1-9,14H,10-13,15-16H2

InChI Key

YSBGJDLSKNWFDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.621

Distribution Coefficient, logD

1.621

Water Solubility, LogSw

-2.09

Polar Surface Area

68.354

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E772-0278 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 E772-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E772-0278?
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What is the minimum amount of E772-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E772-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E772-0278
  • 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 E772-0278 available by request