E772-0260 Screening compound: 1-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-2-one

E772-0260 Screening compound: 1-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-2-one
E772-0260 Screening compound: 1-({4-[3-methyl-4-(3-methylphenyl)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 E772-0260
1-({4-[3-methyl-4-(3-methylphenyl)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

E772-0260

Molecular Formula

C27H28N4O2S (C27 H28 N4 O2 S)

Compound Name

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

IUPAC name

1-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)-1H2H3H-pyrido[23-b][14]thiazin-2-one

SMILES

CC(CN(CC1)C(c2ccc(CN3c4cccnc4SCC3=O)cc2)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C27H28N4O2S/c1-19-5-3-6-23(15-19)30-14-13-29(16-20(30)2)27(33)22-10-8-21(9-11-22)17-31-24-7-4-12-28-26(24)34-18-25(31)32/h3-12,15,20H,13-14,16-18H2,1-2H3/t20-/m0/s1

InChI Key

GUDNCKYACNJNIN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14917429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.928

Distribution Coefficient, logD

3.928

Water Solubility, LogSw

-3.88

Polar Surface Area

45.798

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

E772-0260 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 E772-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E772-0260?
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What is the minimum amount of E772-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E772-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E772-0260
  • 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 E772-0260 available by request