0717-0935 Screening compound: 2-amino-N~6~-(sec-butyl)-1,3-benzothiazole-6-carboxamide

0717-0935 Screening compound: 2-amino-N~6~-(sec-butyl)-1,3-benzothiazole-6-carboxamide
0717-0935 Screening compound: 2-amino-N~6~-(sec-butyl)-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0717-0935
2-amino-N~6~-(sec-butyl)-1,3-benzothiazole-6-carboxamide

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

0717-0935

Molecular Formula

C12H15N3OS (C12 H15 N3 OS)

Compound Name

2-amino-N~6~-(sec-butyl)-1,3-benzothiazole-6-carboxamide

IUPAC name

2-amino-N-(butan-2-yl)-13-benzothiazole-6-carboxamide

SMILES

CCC(C)NC(c(cc1)cc2c1nc(N)s2)=O

InChI

InChI=1S/C12H15N3OS/c1-3-7(2)14-11(16)8-4-5-9-10(6-8)17-12(13)15-9/h4-7H,3H2,1-2H3,(H2,13,15)(H,14,16)/t7-/m0/s1

InChI Key

XJTPKTRRDCCDIU-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD00608307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.870

Distribution Coefficient, logD

1.870

Water Solubility, LogSw

-2.61

Polar Surface Area

54.883

Acid Dissociation Constant (pKa)

14.56

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

0717-0935 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 0717-0935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0717-0935?
Check Price and Availability of 0717-0935, 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 0717-0935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0717-0935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0717-0935
  • 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 0717-0935 available by request