V027-8245 Screening compound: N-[3-(diethylcarbamoyl)-4-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]phenyl]thiophene-2-carboxamide

V027-8245 Screening compound: N-[3-(diethylcarbamoyl)-4-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]phenyl]thiophene-2-carboxamide
V027-8245 Screening compound: N-[3-(diethylcarbamoyl)-4-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]phenyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-8245
N-[3-(diethylcarbamoyl)-4-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]phenyl]thiophene-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

V027-8245

Molecular Formula

C28H31FN4O3S (C28 H31 FN4 O3 S)

Compound Name

N-[3-(diethylcarbamoyl)-4-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]phenyl]thiophene-2-carboxamide

IUPAC name

N-[3-(diethylcarbamoyl)-4-[4-(2-fluorobenzoyl)-14-diazepan-1-yl]phenyl]thiophene-2-carboxamide

SMILES

CCN(CC)C(c(cc(cc1)NC(c2cccs2)=O)c1N(CCC1)CCN1C(c(cccc1)c1F)=O)=O

InChI

InChI=1S/C28H31FN4O3S/c1-3-31(4-2)28(36)22-19-20(30-26(34)25-11-7-18-37-25)12-13-24(22)32-14-8-15-33(17-16-32)27(35)21-9-5-6-10-23(21)29/h5-7,9-13,18-19H,3-4,8,14-17H2,1-2H3,(H,30,34)

InChI Key

WRLNKCOJNJWFRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19814158

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

522.64

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

4.138

Distribution Coefficient, logD

4.138

Water Solubility, LogSw

-4.13

Polar Surface Area

60.219

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with V027-8245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-8245?
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What is the minimum amount of V027-8245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-8245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-8245
  • 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 V027-8245 available by request