V018-5172 Screening compound: ethyl 4-(2,4-dimethylphenyl)-1-methyl-2-oxo-6-({4-[(propan-2-yl)carbamoyl]-1,4-diazepan-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V018-5172 Screening compound: ethyl 4-(2,4-dimethylphenyl)-1-methyl-2-oxo-6-({4-[(propan-2-yl)carbamoyl]-1,4-diazepan-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V018-5172 Screening compound: ethyl 4-(2,4-dimethylphenyl)-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 V018-5172
ethyl 4-(2,4-dimethylphenyl)-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

V018-5172

Molecular Formula

C26H39N5O4 (C26 H39 N5 O4)

Compound Name

ethyl 4-(2,4-dimethylphenyl)-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-(24-dimethylphenyl)-1-methyl-2-oxo-6-({4-[(propan-2-yl)carbamoyl]-14-diazepan-1-yl}methyl)-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1c(C)cc(C)cc1)N1)=C(CN(CCC2)CCN2C(NC(C)C)=O)N(C)C1=O)=O

InChI

InChI=1S/C26H39N5O4/c1-7-35-24(32)22-21(16-30-11-8-12-31(14-13-30)26(34)27-17(2)3)29(6)25(33)28-23(22)20-10-9-18(4)15-19(20)5/h9-10,15,17,23H,7-8,11-14,16H2,1-6H3,(H,27,34)(H,28,33)/t23-/m1/s1

InChI Key

NNBVWGCJRIHEOL-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19811407

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

485.63

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

3.253

Distribution Coefficient, logD

-0.585

Water Solubility, LogSw

-3.25

Polar Surface Area

78.698

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

9.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.70

References: we are preparing a list of scientific research reports with V018-5172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5172?
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What is the minimum amount of V018-5172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5172
  • 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 V018-5172 available by request