T499-0897 Screening compound: 3-(3-ethyl-3H-imidazo[4,5-b]pyridin-2-yl)-N~1~-(3-methoxybenzyl)-1-pyrrolidinecarboxamide

T499-0897 Screening compound: 3-(3-ethyl-3H-imidazo[4,5-b]pyridin-2-yl)-N~1~-(3-methoxybenzyl)-1-pyrrolidinecarboxamide
T499-0897 Screening compound: 3-(3-ethyl-3H-imidazo[4,5-b]pyridin-2-yl)-N~1~-(3-methoxybenzyl)-1-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T499-0897
3-(3-ethyl-3H-imidazo[4,5-b]pyridin-2-yl)-N~1~-(3-methoxybenzyl)-1-pyrrolidinecarboxamide

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

T499-0897

Molecular Formula

C21H25N5O2 (C21 H25 N5 O2)

Compound Name

3-(3-ethyl-3H-imidazo[4,5-b]pyridin-2-yl)-N~1~-(3-methoxybenzyl)-1-pyrrolidinecarboxamide

IUPAC name

3-{3-ethyl-3H-imidazo[45-b]pyridin-2-yl}-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

SMILES

CCn1c(nccc2)c2nc1C(CC1)CN1C(NCc1cc(OC)ccc1)=O

InChI

InChI=1S/C21H25N5O2/c1-3-26-19(24-18-8-5-10-22-20(18)26)16-9-11-25(14-16)21(27)23-13-15-6-4-7-17(12-15)28-2/h4-8,10,12,16H,3,9,11,13-14H2,1-2H3,(H,23,27)/t16-/m1/s1

InChI Key

PKKIHWDNGRUELH-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27622197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.753

Distribution Coefficient, logD

2.752

Water Solubility, LogSw

-2.89

Polar Surface Area

54.433

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

T499-0897 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T499-0897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T499-0897?
Check Price and Availability of T499-0897, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T499-0897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T499-0897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T499-0897
  • 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 T499-0897 available by request