V008-9449 Screening compound: ethyl 6-[(4-cyclobutanecarbonyl-1,4-diazepan-1-yl)methyl]-1-ethyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V008-9449 Screening compound: ethyl 6-[(4-cyclobutanecarbonyl-1,4-diazepan-1-yl)methyl]-1-ethyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V008-9449 Screening compound: ethyl 6-[(4-cyclobutanecarbonyl-1,4-diazepan-1-yl)methyl]-1-ethyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-9449
ethyl 6-[(4-cyclobutanecarbonyl-1,4-diazepan-1-yl)methyl]-1-ethyl-2-oxo-4-(3-phenoxyphenyl)-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

V008-9449

Molecular Formula

C32H40N4O5 (C32 H40 N4 O5)

Compound Name

ethyl 6-[(4-cyclobutanecarbonyl-1,4-diazepan-1-yl)methyl]-1-ethyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-[(4-cyclobutanecarbonyl-14-diazepan-1-yl)methyl]-1-ethyl-2-oxo-4-(3-phenoxyphenyl)-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(CN(CCC1)CCN1C(C1CCC1)=O)=C(C(c1cc(Oc2ccccc2)ccc1)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C32H40N4O5/c1-3-36-27(22-34-17-10-18-35(20-19-34)30(37)23-11-8-12-23)28(31(38)40-4-2)29(33-32(36)39)24-13-9-16-26(21-24)41-25-14-6-5-7-15-25/h5-7,9,13-16,21,23,29H,3-4,8,10-12,17-20,22H2,1-2H3,(H,33,39)/t29-/m1/s1

InChI Key

GFKIAIHIRHCNCO-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD19813032

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

560.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.129

Distribution Coefficient, logD

1.980

Water Solubility, LogSw

-4.06

Polar Surface Area

76.540

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.90

V008-9449 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 V008-9449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9449?
Check Price and Availability of V008-9449, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V008-9449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9449
  • 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 V008-9449 available by request