C887-0633 Screening compound: N~1~-(3-chlorobenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanamide

C887-0633 Screening compound: N~1~-(3-chlorobenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanamide
C887-0633 Screening compound: N~1~-(3-chlorobenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C887-0633
N~1~-(3-chlorobenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-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

C887-0633

Molecular Formula

C19H17ClN4O3 (C19 H17 ClN4 O3)

Compound Name

N~1~-(3-chlorobenzyl)-2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanamide

IUPAC name

N-[(3-chlorophenyl)methyl]-2-{12-methyl-9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}propanamide

SMILES

CC(C(NCc1cccc(Cl)c1)=O)N(C1=O)N=C(C)n2c1cc1c2cco1

InChI

InChI=1S/C19H17ClN4O3/c1-11(18(25)21-10-13-4-3-5-14(20)8-13)24-19(26)16-9-17-15(6-7-27-17)23(16)12(2)22-24/h3-9,11H,10H2,1-2H3,(H,21,25)/t11-/m0/s1

InChI Key

OCDJRDJGIQQNGR-NSHDSACASA-N

MDL Number (MFCD)

MFCD14805777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.579

Distribution Coefficient, logD

2.579

Water Solubility, LogSw

-3.43

Polar Surface Area

61.066

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

C887-0633 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C887-0633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-0633?
Check Price and Availability of C887-0633, 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 C887-0633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-0633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-0633
  • 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 C887-0633 available by request