3284-2304 Screening compound: 3-({[(E)-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]amino]carbamothioyl}amino)benzoic acid

3284-2304 Screening compound: 3-({[(E)-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]amino]carbamothioyl}amino)benzoic acid
3284-2304 Screening compound: 3-({[(E)-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]amino]carbamothioyl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3284-2304
3-({[(E)-[(3-bromo-4-hydroxy-5-methoxyphenyl)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

3284-2304

Molecular Formula

C16H14BrN3O4S (C16 H14 BrN3 O4 S)

Compound Name

3-({[(E)-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]amino]carbamothioyl}amino)benzoic acid

IUPAC name

3-({[(E)-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]amino]carbamothioyl}amino)benzoic acid

SMILES

COc1cc(/C=N/NC(Nc2cc(C(O)=O)ccc2)=S)cc(Br)c1O

InChI

InChI=1S/C16H14BrN3O4S/c1-24-13-6-9(5-12(17)14(13)21)8-18-20-16(25)19-11-4-2-3-10(7-11)15(22)23/h2-8,21H,1H3,(H,22,23)(H2,19,20,25)

InChI Key

PBPXXWRCYYKQTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02004711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.170

Distribution Coefficient, logD

1.285

Water Solubility, LogSw

-4.32

Polar Surface Area

82.803

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

3284-2304 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3284-2304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3284-2304?
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What is the minimum amount of 3284-2304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3284-2304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3284-2304
  • 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 3284-2304 available by request