3149-0193 Screening compound: 1-(2-chlorobenzoyl)-3-[2-(naphthalen-1-yl)-2H-1,2,3-benzotriazol-5-yl]thiourea

3149-0193 Screening compound: 1-(2-chlorobenzoyl)-3-[2-(naphthalen-1-yl)-2H-1,2,3-benzotriazol-5-yl]thiourea
3149-0193 Screening compound: 1-(2-chlorobenzoyl)-3-[2-(naphthalen-1-yl)-2H-1,2,3-benzotriazol-5-yl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3149-0193
1-(2-chlorobenzoyl)-3-[2-(naphthalen-1-yl)-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

3149-0193

Molecular Formula

C24H16ClN5OS (C24 H16 ClN5 OS)

Compound Name

1-(2-chlorobenzoyl)-3-[2-(naphthalen-1-yl)-2H-1,2,3-benzotriazol-5-yl]thiourea

IUPAC name

1-(2-chlorobenzoyl)-3-[2-(naphthalen-1-yl)-2H-123-benzotriazol-5-yl]thiourea

SMILES

O=C(c(cccc1)c1Cl)NC(Nc1cc2nn(-c3cccc4ccccc34)nc2cc1)=S

InChI

InChI=1S/C24H16ClN5OS/c25-19-10-4-3-9-18(19)23(31)27-24(32)26-16-12-13-20-21(14-16)29-30(28-20)22-11-5-7-15-6-1-2-8-17(15)22/h1-14H,(H2,26,27,31,32)

InChI Key

TZSVLBMUZTUIOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02222348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.382

Distribution Coefficient, logD

6.376

Water Solubility, LogSw

-6.48

Polar Surface Area

56.701

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3149-0193 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3149-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3149-0193?
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What is the minimum amount of 3149-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3149-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3149-0193
  • 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 3149-0193 available by request