V015-8757 Screening compound: ethyl 4-(2,5-dimethoxyphenyl)-1-ethyl-2-oxo-6-({4-[(propan-2-yl)carbamoyl]-1,4-diazepan-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V015-8757 Screening compound: ethyl 4-(2,5-dimethoxyphenyl)-1-ethyl-2-oxo-6-({4-[(propan-2-yl)carbamoyl]-1,4-diazepan-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V015-8757 Screening compound: ethyl 4-(2,5-dimethoxyphenyl)-1-ethyl-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 V015-8757
ethyl 4-(2,5-dimethoxyphenyl)-1-ethyl-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

V015-8757

Molecular Formula

C27H41N5O6 (C27 H41 N5 O6)

Compound Name

ethyl 4-(2,5-dimethoxyphenyl)-1-ethyl-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-(25-dimethoxyphenyl)-1-ethyl-2-oxo-6-({4-[(propan-2-yl)carbamoyl]-14-diazepan-1-yl}methyl)-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(CN(CCC1)CCN1C(NC(C)C)=O)=C(C(c(cc(cc1)OC)c1OC)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C27H41N5O6/c1-7-32-21(17-30-12-9-13-31(15-14-30)26(34)28-18(3)4)23(25(33)38-8-2)24(29-27(32)35)20-16-19(36-5)10-11-22(20)37-6/h10-11,16,18,24H,7-9,12-15,17H2,1-6H3,(H,28,34)(H,29,35)/t24-/m1/s1

InChI Key

ALERQFQEVDEEFA-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19820061

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

531.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.930

Distribution Coefficient, logD

-0.780

Water Solubility, LogSw

-3.33

Polar Surface Area

93.832

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

9.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.30

V015-8757 in Drug Discovery

Included in Screening Libraries

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V015-8757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-8757?
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What is the minimum amount of V015-8757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-8757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-8757
  • 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 V015-8757 available by request