V014-8744 Screening compound: N-{6-[4-(4-chlorobenzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-phenylbutanamide

V014-8744 Screening compound: N-{6-[4-(4-chlorobenzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-phenylbutanamide
V014-8744 Screening compound: N-{6-[4-(4-chlorobenzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-8744
N-{6-[4-(4-chlorobenzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-phenylbutanamide

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

V014-8744

Molecular Formula

C26H29ClN4O3S (C26 H29 ClN4 O3 S)

Compound Name

N-{6-[4-(4-chlorobenzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-phenylbutanamide

IUPAC name

N-{6-[4-(4-chlorobenzenesulfonyl)-14-diazepan-1-yl]pyridin-3-yl}-2-phenylbutanamide

SMILES

CCC(C(Nc(cc1)cnc1N(CCC1)CCN1S(c(cc1)ccc1Cl)(=O)=O)=O)c1ccccc1

InChI

InChI=1S/C26H29ClN4O3S/c1-2-24(20-7-4-3-5-8-20)26(32)29-22-11-14-25(28-19-22)30-15-6-16-31(18-17-30)35(33,34)23-12-9-21(27)10-13-23/h3-5,7-14,19,24H,2,6,15-18H2,1H3,(H,29,32)/t24-/m1/s1

InChI Key

VOIMDFMJVGYRJE-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19911913

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

513.06

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.629

Distribution Coefficient, logD

5.629

Water Solubility, LogSw

-5.94

Polar Surface Area

67.233

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V014-8744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-8744?
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What is the minimum amount of V014-8744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-8744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-8744
  • 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 V014-8744 available by request