C700-2758 Screening compound: 4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl ethyl sulfone

C700-2758 Screening compound: 4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl ethyl sulfone
C700-2758 Screening compound: 4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl ethyl sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-2758
4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl ethyl sulfone

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

C700-2758

Molecular Formula

C18H21ClN4O2S (C18 H21 ClN4 O2 S)

Compound Name

4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl ethyl sulfone

IUPAC name

n/a

SMILES

CCS(N(CCC1)CCN1c1nc(cc(cc2)Cl)c2n2c1ccc2)(=O)=O

InChI

InChI=1S/C18H21ClN4O2S/c1-2-26(24,25)22-9-4-8-21(11-12-22)18-17-5-3-10-23(17)16-7-6-14(19)13-15(16)20-18/h3,5-7,10,13H,2,4,8-9,11-12H2,1H3

InChI Key

AULNELGCWLAQBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14786148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.745

Distribution Coefficient, logD

3.739

Water Solubility, LogSw

-4.08

Polar Surface Area

43.174

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

C700-2758 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C700-2758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-2758?
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What is the minimum amount of C700-2758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-2758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-2758
  • 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 C700-2758 available by request