5594-0699 Screening compound: N-[(Z)-amino[(1,3-benzothiazol-2-yl)amino]methylidene]acetamide

5594-0699 Screening compound: N-[(Z)-amino[(1,3-benzothiazol-2-yl)amino]methylidene]acetamide
5594-0699 Screening compound: N-[(Z)-amino[(1,3-benzothiazol-2-yl)amino]methylidene]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-0699
N-[(Z)-amino[(1,3-benzothiazol-2-yl)amino]methylidene]acetamide

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

5594-0699

Molecular Formula

C10H10N4OS (C10 H10 N4 OS)

Compound Name

N-[(Z)-amino[(1,3-benzothiazol-2-yl)amino]methylidene]acetamide

IUPAC name

N-[(Z)-amino[(13-benzothiazol-2-yl)amino]methylidene]acetamide

SMILES

CC(/N=C(/N)\Nc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C10H10N4OS/c1-6(15)12-9(11)14-10-13-7-4-2-3-5-8(7)16-10/h2-5H,1H3,(H3,11,12,13,14,15)

InChI Key

XDWACZMNUNHITN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01171436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.596

Distribution Coefficient, logD

0.528

Water Solubility, LogSw

-2.16

Polar Surface Area

62.299

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

8.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

5594-0699 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 5594-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-0699?
Check Price and Availability of 5594-0699, 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 5594-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-0699
  • 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 5594-0699 available by request