C700-1978 Screening compound: N-(2,5-dimethylphenyl)-4-{7-fluoropyrrolo[1,2-a]quinoxalin-4-yl}piperazine-1-carboxamide

C700-1978 Screening compound: N-(2,5-dimethylphenyl)-4-{7-fluoropyrrolo[1,2-a]quinoxalin-4-yl}piperazine-1-carboxamide
C700-1978 Screening compound: N-(2,5-dimethylphenyl)-4-{7-fluoropyrrolo[1,2-a]quinoxalin-4-yl}piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-1978
N-(2,5-dimethylphenyl)-4-{7-fluoropyrrolo[1,2-a]quinoxalin-4-yl}piperazine-1-carboxamide

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

C700-1978

Molecular Formula

C24H24FN5O (C24 H24 FN5 O)

Compound Name

N-(2,5-dimethylphenyl)-4-{7-fluoropyrrolo[1,2-a]quinoxalin-4-yl}piperazine-1-carboxamide

IUPAC name

N-(25-dimethylphenyl)-4-{7-fluoropyrrolo[12-a]quinoxalin-4-yl}piperazine-1-carboxamide

SMILES

Cc1cc(NC(N(CC2)CCN2c2nc(cc(cc3)F)c3n3c2ccc3)=O)c(C)cc1

InChI

InChI=1S/C24H24FN5O/c1-16-5-6-17(2)19(14-16)27-24(31)29-12-10-28(11-13-29)23-22-4-3-9-30(22)21-8-7-18(25)15-20(21)26-23/h3-9,14-15H,10-13H2,1-2H3,(H,27,31)

InChI Key

PVOCSLAQIHPSAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.820

Distribution Coefficient, logD

4.815

Water Solubility, LogSw

-4.52

Polar Surface Area

35.737

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

10.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C700-1978 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C700-1978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-1978?
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What is the minimum amount of C700-1978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-1978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-1978
  • 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 C700-1978 available by request