4902-0634 Screening compound: 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1H-1,2,3-benzotriazole

4902-0634 Screening compound: 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1H-1,2,3-benzotriazole
4902-0634 Screening compound: 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4902-0634
1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1H-1,2,3-benzotriazole

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

4902-0634

Molecular Formula

C11H9Cl2N3O (C11 H9 Cl2 N3 O)

Compound Name

1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1H-1,2,3-benzotriazole

IUPAC name

1-(22-dichloro-1-methylcyclopropanecarbonyl)-1H-123-benzotriazole

SMILES

CC(C1)(C1(Cl)Cl)C(n1nnc2c1cccc2)=O

InChI

InChI=1S/C11H9Cl2N3O/c1-10(6-11(10,12)13)9(17)16-8-5-3-2-4-7(8)14-15-16/h2-5H,6H2,1H3/t10-/m1/s1

InChI Key

RYTDFZTVRWLCMM-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD01069842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.12

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.359

Distribution Coefficient, logD

2.359

Water Solubility, LogSw

-2.75

Polar Surface Area

39.520

Acid Dissociation Constant (pKa)

23.69

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

4902-0634 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4902-0634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4902-0634?
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What is the minimum amount of 4902-0634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4902-0634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4902-0634
  • 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 4902-0634 available by request