C336-0164 Screening compound: 2-[(3-{2-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-2-OXOETHYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]-N~1~-(3-CHLORO-4-METHOXYPHENYL)ACETAMIDE

C336-0164 Screening compound: 2-[(3-{2-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-2-OXOETHYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]-N~1~-(3-CHLORO-4-METHOXYPHENYL)ACETAMIDE
C336-0164 Screening compound: 2-[(3-{2-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-2-OXOETHYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]-N~1~-(3-CHLORO-4-METHOXYPHENYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0164
2-[(3-{2-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-2-OXOETHYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]-N~1~-(3-CHLORO-4-METHOXYPHENYL)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

C336-0164

Molecular Formula

C29H24ClN5O6S (C29 H24 ClN5 O6 S)

Compound Name

2-[(3-{2-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-2-OXOETHYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]-N~1~-(3-CHLORO-4-METHOXYPHENYL)ACETAMIDE

IUPAC name

n/a

SMILES

COc(ccc(NC(CSC(N1C2CC(NCc(cc3)cc4c3OCO4)=O)=Nc(cccc3)c3C1=NC2=O)=O)c1)c1Cl

InChI

InChI=1S/C29H24ClN5O6S/c1-39-22-9-7-17(11-19(22)30)32-26(37)14-42-29-33-20-5-3-2-4-18(20)27-34-28(38)21(35(27)29)12-25(36)31-13-16-6-8-23-24(10-16)41-15-40-23/h2-11,21H,12-15H2,1H3,(H,31,36)(H,32,37)/t21-/m0/s1

InChI Key

BATVPAVNLBKVRF-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.06

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.155

Distribution Coefficient, logD

3.153

Water Solubility, LogSw

-3.65

Polar Surface Area

107.518

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with C336-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0164?
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What is the minimum amount of C336-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0164
  • 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 C336-0164 available by request