Y204-6402 Screening compound: 2-ethyl-N~1~-(6-nitro-1,3-benzothiazol-2-yl)butanamide

Y204-6402 Screening compound: 2-ethyl-N~1~-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Y204-6402 Screening compound: 2-ethyl-N~1~-(6-nitro-1,3-benzothiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y204-6402
2-ethyl-N~1~-(6-nitro-1,3-benzothiazol-2-yl)butanamide

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

Y204-6402

Molecular Formula

C13H15N3O3S (C13 H15 N3 O3 S)

Compound Name

2-ethyl-N~1~-(6-nitro-1,3-benzothiazol-2-yl)butanamide

IUPAC name

2-ethyl-N-(6-nitro-13-benzothiazol-2-yl)butanamide

SMILES

CCC(CC)C(Nc1nc(ccc([N+]([O-])=O)c2)c2s1)=O

InChI

InChI=1S/C13H15N3O3S/c1-3-8(4-2)12(17)15-13-14-10-6-5-9(16(18)19)7-11(10)20-13/h5-8H,3-4H2,1-2H3,(H,14,15,17)

InChI Key

XESSNEKCSGKPOG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.850

Distribution Coefficient, logD

3.850

Water Solubility, LogSw

-3.88

Polar Surface Area

66.744

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

References: we are preparing a list of scientific research reports with Y204-6402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y204-6402?
Check Price and Availability of Y204-6402, 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 Y204-6402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y204-6402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y204-6402
  • 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 Y204-6402 available by request