E628-1081 Screening compound: methyl 3-[(2-ethyl-3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]propanoate

E628-1081 Screening compound: methyl 3-[(2-ethyl-3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]propanoate
E628-1081 Screening compound: methyl 3-[(2-ethyl-3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E628-1081
methyl 3-[(2-ethyl-3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]propanoate

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

E628-1081

Molecular Formula

C15H20N2O3S (C15 H20 N2 O3 S)

Compound Name

methyl 3-[(2-ethyl-3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]propanoate

IUPAC name

methyl 3-[(2-ethyl-34-dihydro-2H-14-benzothiazine-4-carbonyl)amino]propanoate

SMILES

CCC(C1)Sc(cccc2)c2N1C(NCCC(OC)=O)=O

InChI

InChI=1S/C15H20N2O3S/c1-3-11-10-17(12-6-4-5-7-13(12)21-11)15(19)16-9-8-14(18)20-2/h4-7,11H,3,8-10H2,1-2H3,(H,16,19)/t11-/m0/s1

InChI Key

BVHOOWSUSYGOPL-NSHDSACASA-N

MDL Number (MFCD)

MFCD14905308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.024

Distribution Coefficient, logD

3.024

Water Solubility, LogSw

-3.41

Polar Surface Area

46.320

Acid Dissociation Constant (pKa)

16.97

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

E628-1081 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E628-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E628-1081?
Check Price and Availability of E628-1081, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E628-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E628-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E628-1081
  • 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 E628-1081 available by request