T842-1582 Screening compound: methyl 2-({[3-(3-isopropyl-3H-imidazo[4,5-c]pyridin-2-yl)-1-pyrrolidinyl]carbonyl}amino)-3-methylbutanoate

T842-1582 Screening compound: methyl 2-({[3-(3-isopropyl-3H-imidazo[4,5-c]pyridin-2-yl)-1-pyrrolidinyl]carbonyl}amino)-3-methylbutanoate
T842-1582 Screening compound: methyl 2-({[3-(3-isopropyl-3H-imidazo[4,5-c]pyridin-2-yl)-1-pyrrolidinyl]carbonyl}amino)-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound T842-1582
methyl 2-({[3-(3-isopropyl-3H-imidazo[4,5-c]pyridin-2-yl)-1-pyrrolidinyl]carbonyl}amino)-3-methylbutanoate

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

T842-1582

Molecular Formula

C20H29N5O3 (C20 H29 N5 O3)

Compound Name

methyl 2-({[3-(3-isopropyl-3H-imidazo[4,5-c]pyridin-2-yl)-1-pyrrolidinyl]carbonyl}amino)-3-methylbutanoate

IUPAC name

n/a

SMILES

CC(C)C(C(OC)=O)NC(N(CC1)CC1c1nc(ccnc2)c2n1C(C)C)=O

InChI

InChI=1S/C20H29N5O3/c1-12(2)17(19(26)28-5)23-20(27)24-9-7-14(11-24)18-22-15-6-8-21-10-16(15)25(18)13(3)4/h6,8,10,12-14,17H,7,9,11H2,1-5H3,(H,23,27)

InChI Key

IKYVXFANUIUZRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28121770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

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

2.913

Distribution Coefficient, logD

2.912

Water Solubility, LogSw

-2.90

Polar Surface Area

68.649

Acid Dissociation Constant (pKa)

15.99

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

T842-1582 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with T842-1582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T842-1582?
Check Price and Availability of T842-1582, 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 T842-1582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T842-1582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T842-1582
  • 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 T842-1582 available by request