V027-6390 Screening compound: N-(2-{[1-(2-chlorophenyl)-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-4-(trifluoromethyl)benzamide

V027-6390 Screening compound: N-(2-{[1-(2-chlorophenyl)-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-4-(trifluoromethyl)benzamide
V027-6390 Screening compound: N-(2-{[1-(2-chlorophenyl)-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-6390
N-(2-{[1-(2-chlorophenyl)-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-4-(trifluoromethyl)benzamide

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

V027-6390

Molecular Formula

C24H22ClF3N6O (C24 H22 ClF3 N6 O)

Compound Name

N-(2-{[1-(2-chlorophenyl)-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-4-(trifluoromethyl)benzamide

IUPAC name

N-(2-{[1-(2-chlorophenyl)-6-(propan-2-yl)-1H-pyrazolo[34-d]pyrimidin-4-yl]amino}ethyl)-4-(trifluoromethyl)benzamide

SMILES

CC(C)c1nc(NCCNC(c2ccc(C(F)(F)F)cc2)=O)c(cnn2-c(cccc3)c3Cl)c2n1

InChI

InChI=1S/C24H22ClF3N6O/c1-14(2)20-32-21(17-13-31-34(22(17)33-20)19-6-4-3-5-18(19)25)29-11-12-30-23(35)15-7-9-16(10-8-15)24(26,27)28/h3-10,13-14H,11-12H2,1-2H3,(H,30,35)(H,29,32,33)

InChI Key

PJHMYJSCLBOBKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14259696

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

502.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.407

Distribution Coefficient, logD

5.387

Water Solubility, LogSw

-5.98

Polar Surface Area

68.178

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V027-6390 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V027-6390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-6390?
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What is the minimum amount of V027-6390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-6390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-6390
  • 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 V027-6390 available by request