G373-3177 Screening compound: 5-(piperidine-1-carbonyl)-2-{[4-(2,4,5-trimethylbenzenesulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole

G373-3177 Screening compound: 5-(piperidine-1-carbonyl)-2-{[4-(2,4,5-trimethylbenzenesulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
G373-3177 Screening compound: 5-(piperidine-1-carbonyl)-2-{[4-(2,4,5-trimethylbenzenesulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G373-3177
5-(piperidine-1-carbonyl)-2-{[4-(2,4,5-trimethylbenzenesulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole

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

G373-3177

Molecular Formula

C27H34N4O4S (C27 H34 N4 O4 S)

Compound Name

5-(piperidine-1-carbonyl)-2-{[4-(2,4,5-trimethylbenzenesulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole

IUPAC name

5-(piperidine-1-carbonyl)-2-{[4-(245-trimethylbenzenesulfonyl)piperazin-1-yl]methyl}-13-benzoxazole

SMILES

Cc(c(C)c1)cc(C)c1S(N1CCN(Cc2nc(cc(cc3)C(N4CCCCC4)=O)c3o2)CC1)(=O)=O

InChI

InChI=1S/C27H34N4O4S/c1-19-15-21(3)25(16-20(19)2)36(33,34)31-13-11-29(12-14-31)18-26-28-23-17-22(7-8-24(23)35-26)27(32)30-9-5-4-6-10-30/h7-8,15-17H,4-6,9-14,18H2,1-3H3

InChI Key

AVAKVZFTLXVTKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15006369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.938

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-3.91

Polar Surface Area

68.886

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

G373-3177 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G373-3177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G373-3177?
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What is the minimum amount of G373-3177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G373-3177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G373-3177
  • 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 G373-3177 available by request