D107-1087 Screening compound: 3-chloro-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-benzothiophene-2-carboxamide

D107-1087 Screening compound: 3-chloro-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-benzothiophene-2-carboxamide
D107-1087 Screening compound: 3-chloro-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D107-1087
3-chloro-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-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

D107-1087

Molecular Formula

C17H15ClN2O2S (C17 H15 ClN2 O2 S)

Compound Name

3-chloro-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-(5-methyl-4567-tetrahydro-21-benzoxazol-3-yl)-1-benzothiophene-2-carboxamide

SMILES

CC1Cc2c(NC(c(sc3c4cccc3)c4Cl)=O)onc2CC1

InChI

InChI=1S/C17H15ClN2O2S/c1-9-6-7-12-11(8-9)17(22-20-12)19-16(21)15-14(18)10-4-2-3-5-13(10)23-15/h2-5,9H,6-8H2,1H3,(H,19,21)/t9-/m1/s1

InChI Key

LUGYWNNZKBPJRG-SECBINFHSA-N

MDL Number (MFCD)

MFCD12918926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.739

Distribution Coefficient, logD

4.301

Water Solubility, LogSw

-4.76

Polar Surface Area

47.585

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

D107-1087 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D107-1087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D107-1087?
Check Price and Availability of D107-1087, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D107-1087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D107-1087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D107-1087
  • 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 D107-1087 available by request