2774-1957 Screening compound: 1-[3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]azepane

2774-1957 Screening compound: 1-[3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]azepane
2774-1957 Screening compound: 1-[3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 2774-1957
1-[3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]azepane

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

2774-1957

Molecular Formula

C20H17Cl2F3N4O (C20 H17 Cl2 F3 N4 O)

Compound Name

1-[3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]azepane

IUPAC name

1-[3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carbonyl]azepane

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c(cc3)ccc3Cl)nc2c1Cl)N1CCCCCC1

InChI

InChI=1S/C20H17Cl2F3N4O/c21-13-7-5-12(6-8-13)14-11-15(20(23,24)25)29-18(26-14)16(22)17(27-29)19(30)28-9-3-1-2-4-10-28/h5-8,11H,1-4,9-10H2

InChI Key

QUDHGQRQAPWFLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01529050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.826

Distribution Coefficient, logD

5.826

Water Solubility, LogSw

-6.28

Polar Surface Area

36.694

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

2774-1957 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 2774-1957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2774-1957?
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What is the minimum amount of 2774-1957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2774-1957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2774-1957
  • 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 2774-1957 available by request