E772-0472 Screening compound: 4-({6,8-dimethyl-2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide

E772-0472 Screening compound: 4-({6,8-dimethyl-2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide
E772-0472 Screening compound: 4-({6,8-dimethyl-2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E772-0472
4-({6,8-dimethyl-2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide

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

E772-0472

Molecular Formula

C25H33N5O2S (C25 H33 N5 O2 S)

Compound Name

4-({6,8-dimethyl-2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide

IUPAC name

4-({68-dimethyl-2-oxo-1H2H3H-pyrido[23-b][14]thiazin-1-yl}methyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide

SMILES

CCN1CCN(CCNC(c2ccc(CN3c4c(C)cc(C)nc4SCC3=O)cc2)=O)CC1

InChI

InChI=1S/C25H33N5O2S/c1-4-28-11-13-29(14-12-28)10-9-26-24(32)21-7-5-20(6-8-21)16-30-22(31)17-33-25-23(30)18(2)15-19(3)27-25/h5-8,15H,4,9-14,16-17H2,1-3H3,(H,26,32)

InChI Key

XAEHCDHTUUFQFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.400

Distribution Coefficient, logD

1.607

Water Solubility, LogSw

-2.64

Polar Surface Area

58.977

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

E772-0472 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 E772-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E772-0472?
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What is the minimum amount of E772-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E772-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E772-0472
  • 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 E772-0472 available by request