C675-0107 Screening compound: N-[3-(azepan-1-yl)propyl]-5-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}pentanamide

C675-0107 Screening compound: N-[3-(azepan-1-yl)propyl]-5-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}pentanamide
C675-0107 Screening compound: N-[3-(azepan-1-yl)propyl]-5-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C675-0107
N-[3-(azepan-1-yl)propyl]-5-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}pentanamide

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

C675-0107

Molecular Formula

C25H35N5O3S (C25 H35 N5 O3 S)

Compound Name

N-[3-(azepan-1-yl)propyl]-5-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}pentanamide

IUPAC name

N-[3-(azepan-1-yl)propyl]-5-{8-methoxy-4-oxo-2-sulfanylidene-1H2H3H4H5H-pyrimido[54-b]indol-3-yl}pentanamide

SMILES

COc(cc1)cc2c1[nH]c(C(N1CCCCC(NCCCN3CCCCCC3)=O)=O)c2NC1=S

InChI

InChI=1S/C25H35N5O3S/c1-33-18-10-11-20-19(17-18)22-23(27-20)24(32)30(25(34)28-22)16-7-4-9-21(31)26-12-8-15-29-13-5-2-3-6-14-29/h10-11,17,27H,2-9,12-16H2,1H3,(H,26,31)(H,28,34)

InChI Key

ATVCGVWCDPGBBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.258

Distribution Coefficient, logD

-0.371

Water Solubility, LogSw

-2.96

Polar Surface Area

71.425

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

10.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

C675-0107 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C675-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C675-0107?
Check Price and Availability of C675-0107, 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 C675-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C675-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C675-0107
  • 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 C675-0107 available by request