T842-0698 Screening compound: methyl 3-[(3-{3-ethyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidine-1-carbonyl)amino]propanoate

T842-0698 Screening compound: methyl 3-[(3-{3-ethyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidine-1-carbonyl)amino]propanoate
T842-0698 Screening compound: methyl 3-[(3-{3-ethyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidine-1-carbonyl)amino]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound T842-0698
methyl 3-[(3-{3-ethyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidine-1-carbonyl)amino]propanoate

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

T842-0698

Molecular Formula

C17H23N5O3 (C17 H23 N5 O3)

Compound Name

methyl 3-[(3-{3-ethyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidine-1-carbonyl)amino]propanoate

IUPAC name

methyl 3-[(3-{3-ethyl-3H-imidazo[45-c]pyridin-2-yl}pyrrolidine-1-carbonyl)amino]propanoate

SMILES

CCn1c(cncc2)c2nc1C(CC1)CN1C(NCCC(OC)=O)=O

InChI

InChI=1S/C17H23N5O3/c1-3-22-14-10-18-7-4-13(14)20-16(22)12-6-9-21(11-12)17(24)19-8-5-15(23)25-2/h4,7,10,12H,3,5-6,8-9,11H2,1-2H3,(H,19,24)/t12-/m1/s1

InChI Key

NCPAHZAVPFDYOX-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD28121705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.349

Distribution Coefficient, logD

1.348

Water Solubility, LogSw

-1.35

Polar Surface Area

67.192

Acid Dissociation Constant (pKa)

16.46

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

References: we are preparing a list of scientific research reports with T842-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T842-0698?
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What is the minimum amount of T842-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T842-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T842-0698
  • 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 T842-0698 available by request