Y030-8137 Screening compound: N-[2-(butan-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide

Y030-8137 Screening compound: N-[2-(butan-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
Y030-8137 Screening compound: N-[2-(butan-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-8137
N-[2-(butan-2-yl)phenyl]-3-chloro-1-benzothiophene-2-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

Y030-8137

Molecular Formula

C19H18ClNOS (C19 H18 ClNOS)

Compound Name

N-[2-(butan-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide

IUPAC name

N-[2-(butan-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide

SMILES

CCC(C)c(cccc1)c1NC(c(sc1c2cccc1)c2Cl)=O

InChI

InChI=1S/C19H18ClNOS/c1-3-12(2)13-8-4-6-10-15(13)21-19(22)18-17(20)14-9-5-7-11-16(14)23-18/h4-12H,3H2,1-2H3,(H,21,22)/t12-/m0/s1

InChI Key

KFSFYWNOHJYKEU-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03638858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.88

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.973

Distribution Coefficient, logD

5.973

Water Solubility, LogSw

-6.10

Polar Surface Area

23.379

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with Y030-8137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-8137?
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What is the minimum amount of Y030-8137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-8137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-8137
  • 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 Y030-8137 available by request