C301-1393 Screening compound: 3-{5-chloro-4-[(3-fluorophenyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-1-carboxylic acid

C301-1393 Screening compound: 3-{5-chloro-4-[(3-fluorophenyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-1-carboxylic acid
C301-1393 Screening compound: 3-{5-chloro-4-[(3-fluorophenyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-1393
3-{5-chloro-4-[(3-fluorophenyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-1-carboxylic 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

C301-1393

Molecular Formula

C21H21ClFN3O3 (C21 H21 ClFN3 O3)

Compound Name

3-{5-chloro-4-[(3-fluorophenyl)amino]-6-oxo-1,6-dihydropyridazin-1-yl}adamantane-1-carboxylic acid

IUPAC name

(5R7S)-3-{5-chloro-4-[(3-fluorophenyl)amino]-6-oxo-16-dihydropyridazin-1-yl}adamantane-1-carboxylic acid

SMILES

OC(C(C[C@@H](C1)C2)(C[C@H]1C1)CC12N(C1=O)N=CC(Nc2cc(F)ccc2)=C1Cl)=O

InChI

InChI=1S/C21H21ClFN3O3/c22-17-16(25-15-3-1-2-14(23)5-15)10-24-26(18(17)27)21-8-12-4-13(9-21)7-20(6-12,11-21)19(28)29/h1-3,5,10,12-13,25H,4,6-9,11H2,(H,28,29)/t12-,13-,20?,21?/m1/s1

InChI Key

OJQAGVYNUXGKJI-QQRKTFAASA-N

MDL Number (MFCD)

MFCD06595594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.217

Distribution Coefficient, logD

1.932

Water Solubility, LogSw

-4.45

Polar Surface Area

63.904

Acid Dissociation Constant (pKa)

5.12

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.60

C301-1393 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C301-1393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-1393?
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What is the minimum amount of C301-1393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-1393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-1393
  • 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 C301-1393 available by request