C700-2782 Screening compound: 1-(4-{7-chloropyrrolo[1,2-a]quinoxalin-4-yl}-1,4-diazepan-1-yl)-3-cyclopentylpropan-1-one

C700-2782 Screening compound: 1-(4-{7-chloropyrrolo[1,2-a]quinoxalin-4-yl}-1,4-diazepan-1-yl)-3-cyclopentylpropan-1-one
C700-2782 Screening compound: 1-(4-{7-chloropyrrolo[1,2-a]quinoxalin-4-yl}-1,4-diazepan-1-yl)-3-cyclopentylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-2782
1-(4-{7-chloropyrrolo[1,2-a]quinoxalin-4-yl}-1,4-diazepan-1-yl)-3-cyclopentylpropan-1-one

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

C700-2782

Molecular Formula

C24H29ClN4O (C24 H29 ClN4 O)

Compound Name

1-(4-{7-chloropyrrolo[1,2-a]quinoxalin-4-yl}-1,4-diazepan-1-yl)-3-cyclopentylpropan-1-one

IUPAC name

1-(4-{7-chloropyrrolo[12-a]quinoxalin-4-yl}-14-diazepan-1-yl)-3-cyclopentylpropan-1-one

SMILES

O=C(CCC1CCCC1)N(CCC1)CCN1c1nc(cc(cc2)Cl)c2n2c1ccc2

InChI

InChI=1S/C24H29ClN4O/c25-19-9-10-21-20(17-19)26-24(22-7-3-14-29(21)22)28-13-4-12-27(15-16-28)23(30)11-8-18-5-1-2-6-18/h3,7,9-10,14,17-18H,1-2,4-6,8,11-13,15-16H2

InChI Key

NZDQKFWAPVPTBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14786155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.97

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.459

Distribution Coefficient, logD

5.453

Water Solubility, LogSw

-5.93

Polar Surface Area

27.976

Acid Dissociation Constant (pKa)

24.49

Base Dissociation Constant (pKb)

10.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C700-2782 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with C700-2782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-2782?
Check Price and Availability of C700-2782, 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 C700-2782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-2782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-2782
  • 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 C700-2782 available by request