V002-1990 Screening compound: N-[4-(dimethylamino)-3-({N-[(3-fluorophenyl)methyl]-2,2-dimethylpropanamido}methyl)phenyl]-3-fluorobenzamide

V002-1990 Screening compound: N-[4-(dimethylamino)-3-({N-[(3-fluorophenyl)methyl]-2,2-dimethylpropanamido}methyl)phenyl]-3-fluorobenzamide
V002-1990 Screening compound: N-[4-(dimethylamino)-3-({N-[(3-fluorophenyl)methyl]-2,2-dimethylpropanamido}methyl)phenyl]-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1990
N-[4-(dimethylamino)-3-({N-[(3-fluorophenyl)methyl]-2,2-dimethylpropanamido}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

V002-1990

Molecular Formula

C28H31F2N3O2 (C28 H31 F2 N3 O2)

Compound Name

N-[4-(dimethylamino)-3-({N-[(3-fluorophenyl)methyl]-2,2-dimethylpropanamido}methyl)phenyl]-3-fluorobenzamide

IUPAC name

N-[4-(dimethylamino)-3-({N-[(3-fluorophenyl)methyl]-22-dimethylpropanamido}methyl)phenyl]-3-fluorobenzamide

SMILES

CC(C)(C)C(N(Cc1cc(F)ccc1)Cc(cc(cc1)NC(c2cccc(F)c2)=O)c1N(C)C)=O

InChI

InChI=1S/C28H31F2N3O2/c1-28(2,3)27(35)33(17-19-8-6-10-22(29)14-19)18-21-16-24(12-13-25(21)32(4)5)31-26(34)20-9-7-11-23(30)15-20/h6-16H,17-18H2,1-5H3,(H,31,34)

InChI Key

RDXISCORJKUFQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19801640

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

479.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.734

Distribution Coefficient, logD

5.731

Water Solubility, LogSw

-5.52

Polar Surface Area

42.044

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with V002-1990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1990?
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What is the minimum amount of V002-1990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1990
  • 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 V002-1990 available by request