D454-0335 Screening compound: N~1~-{2-chloro-4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-4-fluorobenzamide

D454-0335 Screening compound: N~1~-{2-chloro-4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-4-fluorobenzamide
D454-0335 Screening compound: N~1~-{2-chloro-4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0335
N~1~-{2-chloro-4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-4-fluorobenzamide

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

D454-0335

Molecular Formula

C23H18ClFN4O (C23 H18 ClFN4 O)

Compound Name

N~1~-{2-chloro-4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-4-fluorobenzamide

IUPAC name

N-(2-chloro-4-{1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-11-yl}phenyl)-4-fluorobenzamide

SMILES

O=C(c(cc1)ccc1F)Nc(ccc(N1Cc2nc(cccc3)c3n2CC1)c1)c1Cl

InChI

InChI=1S/C23H18ClFN4O/c24-18-13-17(9-10-19(18)27-23(30)15-5-7-16(25)8-6-15)28-11-12-29-21-4-2-1-3-20(21)26-22(29)14-28/h1-10,13H,11-12,14H2,(H,27,30)

InChI Key

HQRFTHKIHISDHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.813

Distribution Coefficient, logD

4.750

Water Solubility, LogSw

-5.11

Polar Surface Area

37.027

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with D454-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0335?
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What is the minimum amount of D454-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0335
  • 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 D454-0335 available by request