D667-0092 Screening compound: ethyl 3-{[2-(4-bromophenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzoate

D667-0092 Screening compound: ethyl 3-{[2-(4-bromophenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzoate
D667-0092 Screening compound: ethyl 3-{[2-(4-bromophenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D667-0092
ethyl 3-{[2-(4-bromophenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzoate

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

D667-0092

Molecular Formula

C21H17BrN4O2 (C21 H17 BrN4 O2)

Compound Name

ethyl 3-{[2-(4-bromophenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzoate

IUPAC name

ethyl 3-{[2-(4-bromophenyl)imidazo[12-a]pyrazin-3-yl]amino}benzoate

SMILES

CCOC(c1cccc(Nc2c(-c(cc3)ccc3Br)nc3n2ccnc3)c1)=O

InChI

InChI=1S/C21H17BrN4O2/c1-2-28-21(27)15-4-3-5-17(12-15)24-20-19(14-6-8-16(22)9-7-14)25-18-13-23-10-11-26(18)20/h3-13,24H,2H2,1H3

InChI Key

KJXVURHUONCTRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.240

Distribution Coefficient, logD

5.240

Water Solubility, LogSw

-4.80

Polar Surface Area

47.950

Acid Dissociation Constant (pKa)

19.48

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D667-0092 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D667-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D667-0092?
Check Price and Availability of D667-0092, 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 D667-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D667-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D667-0092
  • 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 D667-0092 available by request