8018-9599 Screening compound: 6-chloro-N-(3,4-dimethoxyphenyl)-2-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}imidazo[1,2-a]pyridin-3-amine

8018-9599 Screening compound: 6-chloro-N-(3,4-dimethoxyphenyl)-2-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}imidazo[1,2-a]pyridin-3-amine
8018-9599 Screening compound: 6-chloro-N-(3,4-dimethoxyphenyl)-2-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}imidazo[1,2-a]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9599
6-chloro-N-(3,4-dimethoxyphenyl)-2-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}imidazo[1,2-a]pyridin-3-amine

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

8018-9599

Molecular Formula

C26H19ClF3N3O3 (C26 H19 ClF3 N3 O3)

Compound Name

6-chloro-N-(3,4-dimethoxyphenyl)-2-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}imidazo[1,2-a]pyridin-3-amine

IUPAC name

6-chloro-N-(34-dimethoxyphenyl)-2-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}imidazo[12-a]pyridin-3-amine

SMILES

COc(ccc(Nc1c(-c2ccc(-c3cc(C(F)(F)F)ccc3)o2)nc(cc2)n1cc2Cl)c1)c1OC

InChI

InChI=1S/C26H19ClF3N3O3/c1-34-20-8-7-18(13-22(20)35-2)31-25-24(32-23-11-6-17(27)14-33(23)25)21-10-9-19(36-21)15-4-3-5-16(12-15)26(28,29)30/h3-14,31H,1-2H3

InChI Key

BTGXYGKJQIBEIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.885

Distribution Coefficient, logD

6.885

Water Solubility, LogSw

-6.77

Polar Surface Area

41.232

Acid Dissociation Constant (pKa)

19.82

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

8018-9599 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-9599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9599?
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What is the minimum amount of 8018-9599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9599
  • 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 8018-9599 available by request