C081-1157 Screening compound: N-(2,5-dimethoxyphenyl)-4-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}butanamide

C081-1157 Screening compound: N-(2,5-dimethoxyphenyl)-4-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}butanamide
C081-1157 Screening compound: N-(2,5-dimethoxyphenyl)-4-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C081-1157
N-(2,5-dimethoxyphenyl)-4-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}butanamide

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

C081-1157

Molecular Formula

C19H19N3O5 (C19 H19 N3 O5)

Compound Name

N-(2,5-dimethoxyphenyl)-4-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}butanamide

IUPAC name

N-(25-dimethoxyphenyl)-4-{57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}butanamide

SMILES

COc(cc1)cc(NC(CCCN(C(c2cccnc22)=O)C2=O)=O)c1OC

InChI

InChI=1S/C19H19N3O5/c1-26-12-7-8-15(27-2)14(11-12)21-16(23)6-4-10-22-18(24)13-5-3-9-20-17(13)19(22)25/h3,5,7-9,11H,4,6,10H2,1-2H3,(H,21,23)

InChI Key

FUBHEMSVJHVKTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14717868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.057

Distribution Coefficient, logD

0.056

Water Solubility, LogSw

-2.00

Polar Surface Area

77.004

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C081-1157 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C081-1157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C081-1157?
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What is the minimum amount of C081-1157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C081-1157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C081-1157
  • 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 C081-1157 available by request