V027-9639 Screening compound: 1-[6-(3-CHLORO-4-FLUOROPHENOXY)PYRIMIDIN-4-YL]-4-(FURAN-2-CARBONYL)-1,4-DIAZEPANE

V027-9639 Screening compound: 1-[6-(3-CHLORO-4-FLUOROPHENOXY)PYRIMIDIN-4-YL]-4-(FURAN-2-CARBONYL)-1,4-DIAZEPANE
V027-9639 Screening compound: 1-[6-(3-CHLORO-4-FLUOROPHENOXY)PYRIMIDIN-4-YL]-4-(FURAN-2-CARBONYL)-1,4-DIAZEPANE alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9639
1-[6-(3-CHLORO-4-FLUOROPHENOXY)PYRIMIDIN-4-YL]-4-(FURAN-2-CARBONYL)-1,4-DIAZEPANE

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

V027-9639

Molecular Formula

C20H18ClFN4O3 (C20 H18 ClFN4 O3)

Compound Name

1-[6-(3-CHLORO-4-FLUOROPHENOXY)PYRIMIDIN-4-YL]-4-(FURAN-2-CARBONYL)-1,4-DIAZEPANE

IUPAC name

n/a

SMILES

O=C(c1ccco1)N(CCC1)CCN1c1cc(Oc(cc2)cc(Cl)c2F)ncn1

InChI

InChI=1S/C20H18ClFN4O3/c21-15-11-14(4-5-16(15)22)29-19-12-18(23-13-24-19)25-6-2-7-26(9-8-25)20(27)17-3-1-10-28-17/h1,3-5,10-13H,2,6-9H2

InChI Key

QQWFBIHRERLESS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19861946

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

416.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.585

Distribution Coefficient, logD

3.585

Water Solubility, LogSw

-3.81

Polar Surface Area

54.978

Acid Dissociation Constant (pKa)

23.36

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V027-9639 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V027-9639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9639?
Check Price and Availability of V027-9639, 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 V027-9639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9639
  • 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 V027-9639 available by request