C664-0092 Screening compound: N-(2,2-dimethoxyethyl)-4-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}butanamide

C664-0092 Screening compound: N-(2,2-dimethoxyethyl)-4-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}butanamide
C664-0092 Screening compound: N-(2,2-dimethoxyethyl)-4-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C664-0092
N-(2,2-dimethoxyethyl)-4-{8-methoxy-4-oxo-2-sulfanylidene-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-3-yl}butanamide

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

C664-0092

Molecular Formula

C19H24N4O5S (C19 H24 N4 O5 S)

Compound Name

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

IUPAC name

N-(22-dimethoxyethyl)-4-{8-methoxy-4-oxo-2-sulfanylidene-1H2H3H4H5H-pyrimido[54-b]indol-3-yl}butanamide

SMILES

COC(CNC(CCCN(C(c([nH]c(cc1)c2cc1OC)c2N1)=O)C1=S)=O)OC

InChI

InChI=1S/C19H24N4O5S/c1-26-11-6-7-13-12(9-11)16-17(21-13)18(25)23(19(29)22-16)8-4-5-14(24)20-10-15(27-2)28-3/h6-7,9,15,21H,4-5,8,10H2,1-3H3,(H,20,24)(H,22,29)

InChI Key

RWMBKBBOSPUFBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.058

Distribution Coefficient, logD

0.058

Water Solubility, LogSw

-2.28

Polar Surface Area

83.036

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

C664-0092 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 C664-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C664-0092?
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What is the minimum amount of C664-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C664-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C664-0092
  • 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 C664-0092 available by request