3284-0646 Screening compound: 3-({[(E)-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino]carbamothioyl}amino)benzoic acid

3284-0646 Screening compound: 3-({[(E)-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino]carbamothioyl}amino)benzoic acid
3284-0646 Screening compound: 3-({[(E)-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino]carbamothioyl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3284-0646
3-({[(E)-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino]carbamothioyl}amino)benzoic acid

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

3284-0646

Molecular Formula

C16H14N4O6S (C16 H14 N4 O6 S)

Compound Name

3-({[(E)-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino]carbamothioyl}amino)benzoic acid

IUPAC name

3-({[(E)-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino]carbamothioyl}amino)benzoic acid

SMILES

COc1cc([N+]([O-])=O)cc(/C=N/NC(Nc2cc(C(O)=O)ccc2)=S)c1O

InChI

InChI=1S/C16H14N4O6S/c1-26-13-7-12(20(24)25)6-10(14(13)21)8-17-19-16(27)18-11-4-2-3-9(5-11)15(22)23/h2-8,21H,1H3,(H,22,23)(H2,18,19,27)

InChI Key

LMQJAVDLSSXXLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02003476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.38

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.802

Distribution Coefficient, logD

0.916

Water Solubility, LogSw

-4.01

Polar Surface Area

116.185

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with 3284-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3284-0646?
Check Price and Availability of 3284-0646, 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 3284-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3284-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3284-0646
  • 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 3284-0646 available by request