V018-0380 Screening compound: N-[trans-4-(benzoylamino)cyclohexyl]-1-(ethylsulfonyl)-L-prolinamide

V018-0380 Screening compound: N-[trans-4-(benzoylamino)cyclohexyl]-1-(ethylsulfonyl)-L-prolinamide
V018-0380 Screening compound: N-[trans-4-(benzoylamino)cyclohexyl]-1-(ethylsulfonyl)-L-prolinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-0380
N-[trans-4-(benzoylamino)cyclohexyl]-1-(ethylsulfonyl)-L-prolinamide

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

V018-0380

Molecular Formula

C20H29N3O4S (C20 H29 N3 O4 S)

Compound Name

N-[trans-4-(benzoylamino)cyclohexyl]-1-(ethylsulfonyl)-L-prolinamide

IUPAC name

(2S)-1-(ethanesulfonyl)-N-[(1r4r)-4-benzamidocyclohexyl]pyrrolidine-2-carboxamide

SMILES

CCS(N(CCC1)C1C(N[C@H](CC1)CC[C@@H]1NC(c1ccccc1)=O)=O)(=O)=O

InChI

InChI=1S/C20H29N3O4S/c1-2-28(26,27)23-14-6-9-18(23)20(25)22-17-12-10-16(11-13-17)21-19(24)15-7-4-3-5-8-15/h3-5,7-8,16-18H,2,6,9-14H2,1H3,(H,21,24)(H,22,25)/t16?,17?,18-/m0/s1

InChI Key

NZTMCFZQUYJLNG-ABHNRTSZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.399

Distribution Coefficient, logD

1.399

Water Solubility, LogSw

-2.27

Polar Surface Area

81.037

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

V018-0380 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V018-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-0380?
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What is the minimum amount of V018-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-0380
  • 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 V018-0380 available by request