V020-1633 Screening compound: ethyl 6-{[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V020-1633 Screening compound: ethyl 6-{[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V020-1633 Screening compound: ethyl 6-{[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-1633
ethyl 6-{[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

V020-1633

Molecular Formula

C28H30F4N4O4 (C28 H30 F4 N4 O4)

Compound Name

ethyl 6-{[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-{[4-(4-fluorobenzoyl)-14-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1c(C(F)(F)F)cccc1)N1)=C(CN(CCC2)CCN2C(c(cc2)ccc2F)=O)N(C)C1=O)=O

InChI

InChI=1S/C28H30F4N4O4/c1-3-40-26(38)23-22(34(2)27(39)33-24(23)20-7-4-5-8-21(20)28(30,31)32)17-35-13-6-14-36(16-15-35)25(37)18-9-11-19(29)12-10-18/h4-5,7-12,24H,3,6,13-17H2,1-2H3,(H,33,39)/t24-/m1/s1

InChI Key

JKJBMUJPRWJAGA-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19811471

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

562.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.477

Distribution Coefficient, logD

2.091

Water Solubility, LogSw

-3.55

Polar Surface Area

69.310

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

V020-1633 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V020-1633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-1633?
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What is the minimum amount of V020-1633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-1633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-1633
  • 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 V020-1633 available by request