C676-0219 Screening compound: N-benzyl-2-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-(propan-2-yl)acetamide

C676-0219 Screening compound: N-benzyl-2-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-(propan-2-yl)acetamide
C676-0219 Screening compound: N-benzyl-2-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C676-0219
N-benzyl-2-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}-N-(propan-2-yl)acetamide

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

C676-0219

Molecular Formula

C23H24N4O3S (C23 H24 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-(propan-2-yl)acetamide

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H24N4O3S/c1-14(2)26(12-15-7-5-4-6-8-15)19(28)13-27-22(29)21-20(25-23(27)31)17-11-16(30-3)9-10-18(17)24-21/h4-11,14,24H,12-13H2,1-3H3,(H,25,31)

InChI Key

CJFWYKDFBJOMIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.994

Distribution Coefficient, logD

2.994

Water Solubility, LogSw

-3.45

Polar Surface Area

58.519

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C676-0219 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C676-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C676-0219?
Check Price and Availability of C676-0219, 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 C676-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C676-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C676-0219
  • 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 C676-0219 available by request