C999-1338 Screening compound: 3-[3-(2-methoxyphenyl)-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(pyrrolidin-1-yl)propyl]propanamide

C999-1338 Screening compound: 3-[3-(2-methoxyphenyl)-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(pyrrolidin-1-yl)propyl]propanamide
C999-1338 Screening compound: 3-[3-(2-methoxyphenyl)-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(pyrrolidin-1-yl)propyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-1338
3-[3-(2-methoxyphenyl)-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(pyrrolidin-1-yl)propyl]propanamide

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

C999-1338

Molecular Formula

C25H33N5O2 (C25 H33 N5 O2)

Compound Name

3-[3-(2-methoxyphenyl)-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(pyrrolidin-1-yl)propyl]propanamide

IUPAC name

3-[3-(2-methoxyphenyl)-46-dimethyl-1H-pyrazolo[34-b]pyridin-1-yl]-N-[3-(pyrrolidin-1-yl)propyl]propanamide

SMILES

Cc1c(c(-c(cccc2)c2OC)nn2CCC(NCCCN3CCCC3)=O)c2nc(C)c1

InChI

InChI=1S/C25H33N5O2/c1-18-17-19(2)27-25-23(18)24(20-9-4-5-10-21(20)32-3)28-30(25)16-11-22(31)26-12-8-15-29-13-6-7-14-29/h4-5,9-10,17H,6-8,11-16H2,1-3H3,(H,26,31)

InChI Key

UDNGKQFKJWJAGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.57

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

2.494

Distribution Coefficient, logD

-0.597

Water Solubility, LogSw

-2.94

Polar Surface Area

59.497

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

10.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

C999-1338 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C999-1338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-1338?
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What is the minimum amount of C999-1338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-1338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-1338
  • 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 C999-1338 available by request