3370-3557 Screening compound: 1-(2-chlorobenzoyl)-3-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]thiourea

3370-3557 Screening compound: 1-(2-chlorobenzoyl)-3-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]thiourea
3370-3557 Screening compound: 1-(2-chlorobenzoyl)-3-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3370-3557
1-(2-chlorobenzoyl)-3-[2-(4-fluorophenyl)-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

3370-3557

Molecular Formula

C20H13ClFN5OS (C20 H13 ClFN5 OS)

Compound Name

1-(2-chlorobenzoyl)-3-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]thiourea

IUPAC name

1-(2-chlorobenzoyl)-3-[2-(4-fluorophenyl)-2H-123-benzotriazol-5-yl]thiourea

SMILES

O=C(c(cccc1)c1Cl)NC(Nc1cc2nn(-c(cc3)ccc3F)nc2cc1)=S

InChI

InChI=1S/C20H13ClFN5OS/c21-16-4-2-1-3-15(16)19(28)24-20(29)23-13-7-10-17-18(11-13)26-27(25-17)14-8-5-12(22)6-9-14/h1-11H,(H2,23,24,28,29)

InChI Key

IVAUXXZQRZCTOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02216381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.87

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

5.162

Distribution Coefficient, logD

5.155

Water Solubility, LogSw

-5.45

Polar Surface Area

57.274

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3370-3557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3370-3557?
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What is the minimum amount of 3370-3557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3370-3557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3370-3557
  • 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 3370-3557 available by request