C659-0057 Screening compound: N-[(4-chlorophenyl)methyl]-6-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}hexanamide

C659-0057 Screening compound: N-[(4-chlorophenyl)methyl]-6-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}hexanamide
C659-0057 Screening compound: N-[(4-chlorophenyl)methyl]-6-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C659-0057
N-[(4-chlorophenyl)methyl]-6-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}hexanamide

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

C659-0057

Molecular Formula

C24H25ClN4O3S (C24 H25 ClN4 O3 S)

Compound Name

N-[(4-chlorophenyl)methyl]-6-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}hexanamide

IUPAC name

N-[(4-chlorophenyl)methyl]-6-{8-methoxy-4-oxo-2-sulfanylidene-1H2H3H4H5H-pyrimido[54-b]indol-3-yl}hexanamide

SMILES

COc(cc1)cc2c1[nH]c(C(N1CCCCCC(NCc(cc3)ccc3Cl)=O)=O)c2NC1=S

InChI

InChI=1S/C24H25ClN4O3S/c1-32-17-10-11-19-18(13-17)21-22(27-19)23(31)29(24(33)28-21)12-4-2-3-5-20(30)26-14-15-6-8-16(25)9-7-15/h6-11,13,27H,2-5,12,14H2,1H3,(H,26,30)(H,28,33)

InChI Key

BVFBLBKKGXFYJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14779823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.709

Distribution Coefficient, logD

3.709

Water Solubility, LogSw

-4.35

Polar Surface Area

67.270

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C659-0057 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C659-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C659-0057?
Check Price and Availability of C659-0057, 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 C659-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C659-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C659-0057
  • 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 C659-0057 available by request