D398-0010 Screening compound: 5-(4-bromophenyl)-3-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazole

D398-0010 Screening compound: 5-(4-bromophenyl)-3-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazole
D398-0010 Screening compound: 5-(4-bromophenyl)-3-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0010
5-(4-bromophenyl)-3-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazole

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

D398-0010

Molecular Formula

C18H15BrN2O2S (C18 H15 BrN2 O2 S)

Compound Name

5-(4-bromophenyl)-3-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazole

IUPAC name

5-(4-bromophenyl)-3-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-12-oxazole

SMILES

O=C(c1noc(-c(cc2)ccc2Br)c1)N(CCC1)C1c1cccs1

InChI

InChI=1S/C18H15BrN2O2S/c19-13-7-5-12(6-8-13)16-11-14(20-23-16)18(22)21-9-1-3-15(21)17-4-2-10-24-17/h2,4-8,10-11,15H,1,3,9H2/t15-/m0/s1

InChI Key

RKQXRMZQCOILTF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD10702553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.544

Distribution Coefficient, logD

4.544

Water Solubility, LogSw

-4.39

Polar Surface Area

39.229

Acid Dissociation Constant (pKa)

26.65

Base Dissociation Constant (pKb)

-7.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

D398-0010 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D398-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0010?
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What is the minimum amount of D398-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0010
  • 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 D398-0010 available by request