G373-4112 Screening compound: N-(butan-2-yl)-4-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide

G373-4112 Screening compound: N-(butan-2-yl)-4-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
G373-4112 Screening compound: N-(butan-2-yl)-4-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G373-4112
N-(butan-2-yl)-4-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-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

G373-4112

Molecular Formula

C21H32N4O2 (C21 H32 N4 O2)

Compound Name

N-(butan-2-yl)-4-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide

IUPAC name

N-(butan-2-yl)-4-[(5-tert-butyl-13-benzoxazol-2-yl)methyl]piperazine-1-carboxamide

SMILES

CCC(C)NC(N1CCN(Cc2nc(cc(C(C)(C)C)cc3)c3o2)CC1)=O

InChI

InChI=1S/C21H32N4O2/c1-6-15(2)22-20(26)25-11-9-24(10-12-25)14-19-23-17-13-16(21(3,4)5)7-8-18(17)27-19/h7-8,13,15H,6,9-12,14H2,1-5H3,(H,22,26)/t15-/m0/s1

InChI Key

INOLZSVNNNEFFF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27138238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.895

Distribution Coefficient, logD

3.872

Water Solubility, LogSw

-3.90

Polar Surface Area

47.031

Acid Dissociation Constant (pKa)

17.25

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

G373-4112 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with G373-4112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G373-4112?
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What is the minimum amount of G373-4112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G373-4112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G373-4112
  • 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 G373-4112 available by request