E135-1125 Screening compound: 2-methyl-3-[(4-methylpiperazino)carbonyl]-5-(2-thienyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

E135-1125 Screening compound: 2-methyl-3-[(4-methylpiperazino)carbonyl]-5-(2-thienyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
E135-1125 Screening compound: 2-methyl-3-[(4-methylpiperazino)carbonyl]-5-(2-thienyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-1125
2-methyl-3-[(4-methylpiperazino)carbonyl]-5-(2-thienyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

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

E135-1125

Molecular Formula

C14H18N4O3S2 (C14 H18 N4 O3 S2)

Compound Name

2-methyl-3-[(4-methylpiperazino)carbonyl]-5-(2-thienyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

IUPAC name

2-methyl-3-(4-methylpiperazine-1-carbonyl)-5-(thiophen-2-yl)-2H-1lambda626-thiadiazine-11-dione

SMILES

CN(CC1)CCN1C(C(N1C)=CC(c2cccs2)=NS1(=O)=O)=O

InChI

InChI=1S/C14H18N4O3S2/c1-16-5-7-18(8-6-16)14(19)12-10-11(13-4-3-9-22-13)15-23(20,21)17(12)2/h3-4,9-10H,5-8H2,1-2H3

InChI Key

RECVJPIHSHKWFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.777

Distribution Coefficient, logD

0.682

Water Solubility, LogSw

-2.00

Polar Surface Area

66.371

Acid Dissociation Constant (pKa)

28.73

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with E135-1125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-1125?
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What is the minimum amount of E135-1125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-1125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-1125
  • 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 E135-1125 available by request