3616-1359 Screening compound: 1-(furan-2-carbonyl)-3-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]thiourea

3616-1359 Screening compound: 1-(furan-2-carbonyl)-3-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]thiourea
3616-1359 Screening compound: 1-(furan-2-carbonyl)-3-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3616-1359
1-(furan-2-carbonyl)-3-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]thiourea

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

3616-1359

Molecular Formula

C19H15N5O2S (C19 H15 N5 O2 S)

Compound Name

1-(furan-2-carbonyl)-3-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]thiourea

IUPAC name

1-(furan-2-carbonyl)-3-[2-(4-methylphenyl)-2H-123-benzotriazol-5-yl]thiourea

SMILES

Cc(cc1)ccc1-n1nc(cc(cc2)NC(NC(c3ccco3)=O)=S)c2n1

InChI

InChI=1S/C19H15N5O2S/c1-12-4-7-14(8-5-12)24-22-15-9-6-13(11-16(15)23-24)20-19(27)21-18(25)17-3-2-10-26-17/h2-11H,1H3,(H2,20,21,25,27)

InChI Key

VOFQTCJSOHGNLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02216671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.373

Distribution Coefficient, logD

4.373

Water Solubility, LogSw

-4.33

Polar Surface Area

65.852

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with 3616-1359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3616-1359?
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What is the minimum amount of 3616-1359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3616-1359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3616-1359
  • 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 3616-1359 available by request