C891-2152 Screening compound: 2-{6-[(2-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[3-(propan-2-yloxy)propyl]acetamide

C891-2152 Screening compound: 2-{6-[(2-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[3-(propan-2-yloxy)propyl]acetamide
C891-2152 Screening compound: 2-{6-[(2-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[3-(propan-2-yloxy)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-2152
2-{6-[(2-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[3-(propan-2-yloxy)propyl]acetamide

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

C891-2152

Molecular Formula

C23H29ClN4O3 (C23 H29 ClN4 O3)

Compound Name

2-{6-[(2-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[3-(propan-2-yloxy)propyl]acetamide

IUPAC name

2-{6-[(2-chlorophenyl)methyl]-57-dimethyl-1-oxo-1H2H6H-pyrrolo[34-d]pyridazin-2-yl}-N-[3-(propan-2-yloxy)propyl]acetamide

SMILES

CC(C)OCCCNC(CN1N=Cc2c(C)n(Cc(cccc3)c3Cl)c(C)c2C1=O)=O

InChI

InChI=1S/C23H29ClN4O3/c1-15(2)31-11-7-10-25-21(29)14-28-23(30)22-17(4)27(16(3)19(22)12-26-28)13-18-8-5-6-9-20(18)24/h5-6,8-9,12,15H,7,10-11,13-14H2,1-4H3,(H,25,29)

InChI Key

AOZGJEAYAULZDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.409

Distribution Coefficient, logD

2.409

Water Solubility, LogSw

-3.34

Polar Surface Area

61.713

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with C891-2152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C891-2152?
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What is the minimum amount of C891-2152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-2152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-2152
  • 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 C891-2152 available by request