V017-9486 Screening compound: ethyl 4-(4-fluorophenyl)-1-methyl-2-oxo-6-({4-[(propan-2-yl)carbamoyl]-1,4-diazepan-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V017-9486 Screening compound: ethyl 4-(4-fluorophenyl)-1-methyl-2-oxo-6-({4-[(propan-2-yl)carbamoyl]-1,4-diazepan-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V017-9486 Screening compound: ethyl 4-(4-fluorophenyl)-1-methyl-2-oxo-6-({4-[(propan-2-yl)carbamoyl]-1,4-diazepan-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-9486
ethyl 4-(4-fluorophenyl)-1-methyl-2-oxo-6-({4-[(propan-2-yl)carbamoyl]-1,4-diazepan-1-yl}methyl)-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

V017-9486

Molecular Formula

C24H34FN5O4 (C24 H34 FN5 O4)

Compound Name

ethyl 4-(4-fluorophenyl)-1-methyl-2-oxo-6-({4-[(propan-2-yl)carbamoyl]-1,4-diazepan-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(4-fluorophenyl)-1-methyl-2-oxo-6-({4-[(propan-2-yl)carbamoyl]-14-diazepan-1-yl}methyl)-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1F)N1)=C(CN(CCC2)CCN2C(NC(C)C)=O)N(C)C1=O)=O

InChI

InChI=1S/C24H34FN5O4/c1-5-34-22(31)20-19(15-29-11-6-12-30(14-13-29)24(33)26-16(2)3)28(4)23(32)27-21(20)17-7-9-18(25)10-8-17/h7-10,16,21H,5-6,11-15H2,1-4H3,(H,26,33)(H,27,32)/t21-/m0/s1

InChI Key

CFKUTQAWMUFAEI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19810118

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

475.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.104

Distribution Coefficient, logD

-1.734

Water Solubility, LogSw

-2.83

Polar Surface Area

78.698

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

9.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.20

References: we are preparing a list of scientific research reports with V017-9486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-9486?
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What is the minimum amount of V017-9486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-9486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-9486
  • 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 V017-9486 available by request