C086-0532 Screening compound: N-(3-chloro-4-methoxyphenyl)-3-{1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl}propanamide

C086-0532 Screening compound: N-(3-chloro-4-methoxyphenyl)-3-{1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl}propanamide
C086-0532 Screening compound: N-(3-chloro-4-methoxyphenyl)-3-{1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C086-0532
N-(3-chloro-4-methoxyphenyl)-3-{1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl}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

C086-0532

Molecular Formula

C17H14ClN3O4 (C17 H14 ClN3 O4)

Compound Name

N-(3-chloro-4-methoxyphenyl)-3-{1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl}propanamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-3-{13-dioxo-1H2H3H-pyrrolo[34-c]pyridin-2-yl}propanamide

SMILES

COc(ccc(NC(CCN(C(c1c2cncc1)=O)C2=O)=O)c1)c1Cl

InChI

InChI=1S/C17H14ClN3O4/c1-25-14-3-2-10(8-13(14)18)20-15(22)5-7-21-16(23)11-4-6-19-9-12(11)17(21)24/h2-4,6,8-9H,5,7H2,1H3,(H,20,22)

InChI Key

UVCNKLIJDWTJDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.522

Distribution Coefficient, logD

1.521

Water Solubility, LogSw

-2.84

Polar Surface Area

69.767

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with C086-0532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C086-0532?
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What is the minimum amount of C086-0532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C086-0532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C086-0532
  • 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 C086-0532 available by request