Y043-6802 Screening compound: N-{(1S)-2-[3-(acetylamino)anilino]-1-methyl-2-oxoethyl}-4-benzyltetrahydro-1(2H)-pyrazinecarboxamide

Y043-6802 Screening compound: N-{(1S)-2-[3-(acetylamino)anilino]-1-methyl-2-oxoethyl}-4-benzyltetrahydro-1(2H)-pyrazinecarboxamide
Y043-6802 Screening compound: N-{(1S)-2-[3-(acetylamino)anilino]-1-methyl-2-oxoethyl}-4-benzyltetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-6802
N-{(1S)-2-[3-(acetylamino)anilino]-1-methyl-2-oxoethyl}-4-benzyltetrahydro-1(2H)-pyrazinecarboxamide

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

Y043-6802

Molecular Formula

C23H29N5O3 (C23 H29 N5 O3)

Compound Name

N-{(1S)-2-[3-(acetylamino)anilino]-1-methyl-2-oxoethyl}-4-benzyltetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

(2S)-2-[(4-benzylpiperazine-1-carbonyl)amino]-N-(3-acetamidophenyl)propanamide

SMILES

CC(C(Nc1cc(NC(C)=O)ccc1)=O)NC(N1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C23H29N5O3/c1-17(22(30)26-21-10-6-9-20(15-21)25-18(2)29)24-23(31)28-13-11-27(12-14-28)16-19-7-4-3-5-8-19/h3-10,15,17H,11-14,16H2,1-2H3,(H,24,31)(H,25,29)(H,26,30)/t17-/m0/s1

InChI Key

KBZUIFBDVKZFHO-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.851

Distribution Coefficient, logD

1.329

Water Solubility, LogSw

-2.41

Polar Surface Area

76.358

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

7.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

Y043-6802 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with Y043-6802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-6802?
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What is the minimum amount of Y043-6802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-6802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-6802
  • 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 Y043-6802 available by request