D682-0011 Screening compound: 1-(6-chloropyridine-3-carbonyl)-4-{5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}piperazine

D682-0011 Screening compound: 1-(6-chloropyridine-3-carbonyl)-4-{5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}piperazine
D682-0011 Screening compound: 1-(6-chloropyridine-3-carbonyl)-4-{5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D682-0011
1-(6-chloropyridine-3-carbonyl)-4-{5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}piperazine

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

D682-0011

Molecular Formula

C17H16ClN5O2 (C17 H16 ClN5 O2)

Compound Name

1-(6-chloropyridine-3-carbonyl)-4-{5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}piperazine

IUPAC name

1-(6-chloropyridine-3-carbonyl)-4-{5-methyl-[13]oxazolo[45-b]pyridin-2-yl}piperazine

SMILES

Cc(cc1)nc2c1oc(N(CC1)CCN1C(c(cc1)cnc1Cl)=O)n2

InChI

InChI=1S/C17H16ClN5O2/c1-11-2-4-13-15(20-11)21-17(25-13)23-8-6-22(7-9-23)16(24)12-3-5-14(18)19-10-12/h2-5,10H,6-9H2,1H3

InChI Key

JTHGAGPHDJUROH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.065

Distribution Coefficient, logD

2.065

Water Solubility, LogSw

-2.71

Polar Surface Area

56.053

Acid Dissociation Constant (pKa)

22.96

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D682-0011 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D682-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D682-0011?
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What is the minimum amount of D682-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D682-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D682-0011
  • 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 D682-0011 available by request