V012-9810 Screening compound: N,N-diethyl-2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-5-[4-(trifluoromethyl)benzamido]benzamide

V012-9810 Screening compound: N,N-diethyl-2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-5-[4-(trifluoromethyl)benzamido]benzamide
V012-9810 Screening compound: N,N-diethyl-2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-5-[4-(trifluoromethyl)benzamido]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9810
N,N-diethyl-2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-5-[4-(trifluoromethyl)benzamido]benzamide

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

V012-9810

Molecular Formula

C31H32F4N4O3 (C31 H32 F4 N4 O3)

Compound Name

N,N-diethyl-2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-5-[4-(trifluoromethyl)benzamido]benzamide

IUPAC name

NN-diethyl-2-[4-(2-fluorobenzoyl)-14-diazepan-1-yl]-5-[4-(trifluoromethyl)benzamido]benzamide

SMILES

CCN(CC)C(c(cc(cc1)NC(c2ccc(C(F)(F)F)cc2)=O)c1N(CCC1)CCN1C(c(cccc1)c1F)=O)=O

InChI

InChI=1S/C31H32F4N4O3/c1-3-37(4-2)30(42)25-20-23(36-28(40)21-10-12-22(13-11-21)31(33,34)35)14-15-27(25)38-16-7-17-39(19-18-38)29(41)24-8-5-6-9-26(24)32/h5-6,8-15,20H,3-4,7,16-19H2,1-2H3,(H,36,40)

InChI Key

YNLIZUUCECSMJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14255815

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

584.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.098

Distribution Coefficient, logD

5.098

Water Solubility, LogSw

-4.86

Polar Surface Area

59.200

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.30

References: we are preparing a list of scientific research reports with V012-9810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9810?
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What is the minimum amount of V012-9810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9810
  • 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 V012-9810 available by request