V027-8747 Screening compound: N-[4-(dimethylamino)-3-({N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)formamido}methyl)phenyl]-3-fluorobenzamide

V027-8747 Screening compound: N-[4-(dimethylamino)-3-({N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)formamido}methyl)phenyl]-3-fluorobenzamide
V027-8747 Screening compound: N-[4-(dimethylamino)-3-({N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)formamido}methyl)phenyl]-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-8747
N-[4-(dimethylamino)-3-({N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)formamido}methyl)phenyl]-3-fluorobenzamide

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

V027-8747

Molecular Formula

C31H29F2N3O3 (C31 H29 F2 N3 O3)

Compound Name

N-[4-(dimethylamino)-3-({N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)formamido}methyl)phenyl]-3-fluorobenzamide

IUPAC name

N-[4-(dimethylamino)-3-({N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)formamido}methyl)phenyl]-3-fluorobenzamide

SMILES

CN(C)c(cc1)c(CN(Cc2cc(F)ccc2)C(c(cc2)ccc2OC)=O)cc1NC(c1cccc(F)c1)=O

InChI

InChI=1S/C31H29F2N3O3/c1-35(2)29-15-12-27(34-30(37)23-7-5-9-26(33)17-23)18-24(29)20-36(19-21-6-4-8-25(32)16-21)31(38)22-10-13-28(39-3)14-11-22/h4-18H,19-20H2,1-3H3,(H,34,37)

InChI Key

GUKKTYPVLNYRBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19796401

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

529.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.661

Distribution Coefficient, logD

5.646

Water Solubility, LogSw

-5.49

Polar Surface Area

49.317

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.10

V027-8747 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V027-8747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-8747?
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What is the minimum amount of V027-8747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-8747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-8747
  • 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 V027-8747 available by request