V013-0295 Screening compound: N-[4-(dimethylamino)-3-({N-[(furan-2-yl)methyl]-1-(3-methylphenyl)formamido}methyl)phenyl]furan-2-carboxamide

V013-0295 Screening compound: N-[4-(dimethylamino)-3-({N-[(furan-2-yl)methyl]-1-(3-methylphenyl)formamido}methyl)phenyl]furan-2-carboxamide
V013-0295 Screening compound: N-[4-(dimethylamino)-3-({N-[(furan-2-yl)methyl]-1-(3-methylphenyl)formamido}methyl)phenyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-0295
N-[4-(dimethylamino)-3-({N-[(furan-2-yl)methyl]-1-(3-methylphenyl)formamido}methyl)phenyl]furan-2-carboxamide

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

V013-0295

Molecular Formula

C27H27N3O4 (C27 H27 N3 O4)

Compound Name

N-[4-(dimethylamino)-3-({N-[(furan-2-yl)methyl]-1-(3-methylphenyl)formamido}methyl)phenyl]furan-2-carboxamide

IUPAC name

N-[4-(dimethylamino)-3-({N-[(furan-2-yl)methyl]-1-(3-methylphenyl)formamido}methyl)phenyl]furan-2-carboxamide

SMILES

Cc1cccc(C(N(Cc2ccco2)Cc(cc(cc2)NC(c3ccco3)=O)c2N(C)C)=O)c1

InChI

InChI=1S/C27H27N3O4/c1-19-7-4-8-20(15-19)27(32)30(18-23-9-5-13-33-23)17-21-16-22(11-12-24(21)29(2)3)28-26(31)25-10-6-14-34-25/h4-16H,17-18H2,1-3H3,(H,28,31)

InChI Key

FGPZHBAORRBUQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19799035

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.524

Distribution Coefficient, logD

4.509

Water Solubility, LogSw

-4.37

Polar Surface Area

58.100

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

V013-0295 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 V013-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-0295?
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What is the minimum amount of V013-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-0295
  • 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 V013-0295 available by request