C676-0162 Screening compound: N-benzyl-2-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-methylacetamide

C676-0162 Screening compound: N-benzyl-2-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-methylacetamide
C676-0162 Screening compound: N-benzyl-2-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C676-0162
N-benzyl-2-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-methylacetamide

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

C676-0162

Molecular Formula

C21H20N4O3S (C21 H20 N4 O3 S)

Compound Name

N-benzyl-2-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-methylacetamide

IUPAC name

N-benzyl-2-{8-methoxy-4-oxo-2-sulfanylidene-1H2H3H4H5H-pyrimido[54-b]indol-3-yl}-N-methylacetamide

SMILES

CN(Cc1ccccc1)C(CN(C(c([nH]c(cc1)c2cc1OC)c2N1)=O)C1=S)=O

InChI

InChI=1S/C21H20N4O3S/c1-24(11-13-6-4-3-5-7-13)17(26)12-25-20(27)19-18(23-21(25)29)15-10-14(28-2)8-9-16(15)22-19/h3-10,22H,11-12H2,1-2H3,(H,23,29)

InChI Key

VDSJOOPMEXJFFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.540

Distribution Coefficient, logD

2.540

Water Solubility, LogSw

-3.01

Polar Surface Area

58.715

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C676-0162 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 C676-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C676-0162?
Check Price and Availability of C676-0162, 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 C676-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C676-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C676-0162
  • 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 C676-0162 available by request